UCSF

ZINC41734601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 1.41 8.89 -83.67 4 3 2 37 293.499 5
Hi High (pH 8-9.5) 1.41 7.16 -38.85 3 3 1 36 292.491 5

Activity (Go SEA)

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