UCSF

ZINC40540134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 15 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) 0.46 4.16 -37.56 1 4 1 28 214.333 4
Hi High (pH 8-9.5) 0.46 1.79 -7.34 0 4 0 27 213.325 4
Mid Mid (pH 6-8) 0.46 6.37 -93.02 2 4 2 29 215.341 4

Activity (Go SEA)

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