UCSF

ZINC69803201

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

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) 0.26 2.8 -42.17 4 4 1 63 226.275 4
Hi High (pH 8-9.5) 0.26 1.36 -7.45 3 4 0 58 225.267 4

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Rings

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