UCSF

ZINC34574767

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 1.67 4.5 -46.29 3 3 1 44 245.346 3
Mid Mid (pH 6-8) 1.67 6.74 -114.39 4 3 2 45 246.354 3
Mid Mid (pH 6-8) 1.67 6.42 -40.61 3 3 1 44 245.346 3

Activity (Go SEA)

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