UCSF

ZINC38002339

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 0.79 3.99 -44.2 4 3 1 56 287.206 3
Hi High (pH 8-9.5) 0.79 3.7 -6.06 3 3 0 55 286.198 3
Hi High (pH 8-9.5) 0.79 3.67 -4.47 3 3 0 55 286.198 3
Mid Mid (pH 6-8) 0.79 4.03 -46.33 4 3 1 56 287.206 3
Lo Low (pH 4.5-6) 0.79 4.62 -116.98 5 3 2 58 288.214 3

Activity (Go SEA)

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