UCSF

ZINC34596258

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 No

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) -0.25 -0.82 -52.63 3 4 1 63 143.166 1
Mid Mid (pH 6-8) -0.25 -2.13 -8.25 2 4 0 58 142.158 1

Activity (Go SEA)

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