UCSF

ZINC34224466

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 12 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) 0.77 2.7 -44.47 2 4 1 46 173.236 2
Mid Mid (pH 6-8) 0.77 1.46 -6.02 1 4 0 42 172.228 2

Activity (Go SEA)

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