UCSF

ZINC41292137

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 19 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) 0.96 5.54 -17.99 0 5 0 41 258.325 2
Mid Mid (pH 6-8) 0.96 7.88 -53.11 1 5 1 42 259.333 2
Mid Mid (pH 6-8) 0.96 5.84 -31.86 1 5 1 42 259.333 2
Lo Low (pH 4.5-6) 0.96 8.19 -84.1 2 5 2 43 260.341 2

Activity (Go SEA)

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