UCSF

ZINC37979088

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 1.57 6.45 -42.89 2 4 1 34 247.366 6
Hi High (pH 8-9.5) 1.57 3.99 -8.79 1 4 0 33 246.358 6
Mid Mid (pH 6-8) 1.57 6.96 -81.27 3 4 2 36 248.374 6

Activity (Go SEA)

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