UCSF

ZINC34651167

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 2.02 7.95 -85.96 3 3 2 24 275.44 3
Mid Mid (pH 6-8) 2.02 5.56 -38.94 2 3 1 23 274.432 3
Mid Mid (pH 6-8) 2.02 7.25 -95.45 3 3 2 24 275.44 3
Lo Low (pH 4.5-6) 2.02 9.67 -193.43 4 3 3 25 276.448 3

Activity (Go SEA)

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