UCSF

ZINC23731283

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2009 31 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) 1.18 5.87 -49.61 2 8 1 79 427.525 7
Hi High (pH 8-9.5) 1.18 3.68 -14.96 1 8 0 78 426.517 7
Lo Low (pH 4.5-6) 1.18 8.1 -99.19 3 8 2 81 428.533 7
Lo Low (pH 4.5-6) 1.18 5.96 -52.41 2 8 1 79 427.525 7

Activity (Go SEA)

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