UCSF

ZINC48356371

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 24 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) 0.86 4.6 -13.53 0 6 0 45 349.866 4
Mid Mid (pH 6-8) 0.86 5.21 -34.18 1 6 1 46 350.874 4
Lo Low (pH 4.5-6) 0.86 6.85 -45.51 1 6 1 46 350.874 4

Activity (Go SEA)

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