UCSF

ZINC15042140

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 17 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) 3.11 6.64 -42.67 0 4 -1 53 221.243 2
Lo Low (pH 4.5-6) 3.11 6.73 -8.94 1 4 0 54 222.251 2

Activity (Go SEA)

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