UCSF

ZINC13221229

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 22 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) 4.42 10.04 -12.86 0 2 0 26 284.362 1
Lo Low (pH 4.5-6) 4.42 10.79 -83.65 2 2 2 28 286.378 1
Lo Low (pH 4.5-6) 4.42 10.44 -27.84 1 2 1 27 285.37 1
Lo Low (pH 4.5-6) 4.42 10.43 -24.55 1 2 1 27 285.37 1

Activity (Go SEA)

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