UCSF

ZINC20246147

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 0.89 3.52 -46.63 3 3 1 44 230.335 5
Hi High (pH 8-9.5) 0.89 5.54 -37.92 3 3 1 43 230.335 5
Mid Mid (pH 6-8) 0.89 3.53 -81.99 4 3 2 45 231.343 5

Activity (Go SEA)

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