UCSF

ZINC12537151

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 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) 2.19 4.78 -10.2 1 4 0 51 242.278 3
Lo Low (pH 4.5-6) 2.19 5.07 -40.58 2 4 1 52 243.286 3

Activity (Go SEA)

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