UCSF

ZINC34579124

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) -0.02 5.64 -15.39 0 3 0 51 168.192 1
Mid Mid (pH 6-8) 0.56 3.09 -47.17 0 3 -1 57 167.184 0

Activity (Go SEA)

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