UCSF

ZINC34699073

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 33 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) 6.15 13.74 -11.02 0 3 0 24 465.012 7
Mid Mid (pH 6-8) 6.15 16.24 -47.63 1 3 1 25 466.02 7

Activity (Go SEA)

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