UCSF

ZINC52287440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.17 1.18 -57.19 4 4 1 74 241.336 4
Hi High (pH 8-9.5) 1.17 0.78 -8.38 3 4 0 72 240.328 4

Activity (Go SEA)

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