UCSF

ZINC34491470

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 13 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 6.56 -110.73 3 2 2 21 184.327 2
Mid Mid (pH 6-8) 1.67 4.47 -31.33 2 2 1 20 183.319 2

Activity (Go SEA)

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