UCSF

ZINC19894628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 17 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 5.78 -39.34 3 4 1 48 231.323 2
Mid Mid (pH 6-8) 0.86 3.35 -9.44 2 4 0 47 230.315 2
Mid Mid (pH 6-8) 0.86 3.43 -25.03 3 4 1 48 231.323 2
Lo Low (pH 4.5-6) 0.86 5.87 -98.44 4 4 2 50 232.331 2

Activity (Go SEA)

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