UCSF

ZINC20236852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 13 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) 0.46 4.47 -50.78 3 3 1 45 176.243 3
Lo Low (pH 4.5-6) 0.46 4.89 -95.91 4 3 2 46 177.251 3

Activity (Go SEA)

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