UCSF

ZINC42781922

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.67 5.42 -91.18 4 3 2 35 257.466 7
Mid Mid (pH 6-8) 1.67 6.63 -83.58 4 3 2 35 257.466 7
Mid Mid (pH 6-8) 1.67 7.89 -174.65 5 3 3 37 258.474 7

Activity (Go SEA)

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