UCSF

ZINC34823193

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 18 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) 2.45 8.66 -93.24 3 3 2 24 269.82 4
Mid Mid (pH 6-8) 2.45 6.31 -31.87 2 3 1 23 268.812 4

Activity (Go SEA)

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