UCSF

ZINC06591429

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 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) 0.04 1.18 -25.8 3 8 0 115 222.208 1
Hi High (pH 8-9.5) -0.01 1.89 -48.92 3 8 -1 118 221.2 1
Hi High (pH 8-9.5) 0.04 1.93 -54.42 2 8 -1 118 221.2 1

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

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