UCSF

ZINC34027744

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 16 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) 1.66 3.57 -97.15 1 5 -2 96 217.18 1
Mid Mid (pH 6-8) 1.66 2.17 -44.21 2 5 -1 93 218.188 1

Activity (Go SEA)

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