UCSF

ZINC33723026

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 3.32 8.12 -2.88 0 1 0 3 223.319 1
Mid Mid (pH 6-8) 3.32 10.3 -34.72 1 1 1 4 224.327 1

Activity (Go SEA)

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