UCSF

ZINC36989904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 4.07 7.1 -5.35 1 2 0 25 228.339 5
Lo Low (pH 4.5-6) 4.07 7.68 -27.16 2 2 1 26 229.347 5

Activity (Go SEA)

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