UCSF

ZINC62639923

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 23 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) 1.92 4.58 -186.2 1 8 -3 144 339.28 5
Mid Mid (pH 6-8) 1.92 4.81 -114.04 2 8 -2 142 340.288 5

Activity (Go SEA)

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