UCSF

ZINC37002778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.52 1.51 -51.47 5 5 1 86 248.306 3
Hi High (pH 8-9.5) 0.52 1.21 -10.43 4 5 0 84 247.298 3

Activity (Go SEA)

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