UCSF

ZINC19851796

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 No

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 4.5 -51.32 0 5 -1 67 211.204 1
Ref Reference (pH 7) 1.18 3.96 -30.8 1 5 1 69 213.22 1
Ref Reference (pH 7) 1.18 3.96 -30.81 1 5 1 69 213.22 1
Mid Mid (pH 6-8) 1.33 3.35 -18.06 1 5 0 64 212.212 1
Mid Mid (pH 6-8) 1.18 4.39 -105.96 2 5 2 70 214.228 1
Mid Mid (pH 6-8) 1.18 4.39 -105.96 2 5 2 70 214.228 1

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.