UCSF

ZINC40925996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 1.22 1.75 -39.84 3 3 1 40 187.307 2
Lo Low (pH 4.5-6) 1.22 3.26 -114.21 4 3 2 41 188.315 2

Activity (Go SEA)

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