UCSF

ZINC05187389

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 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) 3.04 3.98 -26.04 3 3 1 53 242.327 0
Ref Reference (pH 7) 3.04 3.98 -26.07 3 3 1 53 242.327 0

Activity (Go SEA)

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