UCSF

ZINC05006180

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 28 No

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) 3.44 7.84 -20.49 2 9 0 129 382.376 5
Mid Mid (pH 6-8) 3.90 5.96 -46.03 1 9 -1 132 381.368 5

Activity (Go SEA)

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