UCSF

ZINC36888596

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 3.67 7.83 -7.27 1 1 0 12 265.278 5
Lo Low (pH 4.5-6) 3.67 9.2 -49.11 2 1 1 17 266.286 5

Activity (Go SEA)

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