UCSF

ZINC12235274

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 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) 1.17 -3.79 -10.67 2 5 0 71 252.277 3
Lo Low (pH 4.5-6) 1.17 -3.68 -40.79 3 5 1 72 253.285 3

Activity (Go SEA)

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