UCSF

ZINC00500884

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 No

Download: MOL2 SDF SMILES Flexibase

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) 1.59 5.57 -16.26 1 5 0 63 214.228 0
Mid Mid (pH 6-8) 1.60 3.38 -26.18 2 5 1 64 215.236 0
Mid Mid (pH 6-8) 1.59 5.09 -48.93 0 5 -1 61 213.22 0

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

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