UCSF

ZINC34823194

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 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) 2.07 7.74 -99.76 3 3 2 24 255.793 3
Mid Mid (pH 6-8) 2.07 5.39 -32.19 2 3 1 23 254.785 3

Activity (Go SEA)

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