UCSF

ZINC34679263

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 0.79 3.1 -37.44 4 4 1 64 266.34 3
Lo Low (pH 4.5-6) 0.79 5.04 -87.68 5 4 2 65 267.348 3

Activity (Go SEA)

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