UCSF

ZINC33731474

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 22 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) 1.69 5.98 -10.12 0 5 0 44 307.438 3
Mid Mid (pH 6-8) 1.69 8.25 -49.36 1 5 1 45 308.446 3

Activity (Go SEA)

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