UCSF

ZINC20874004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 4.14 9.9 -41.56 2 4 1 38 357.518 11
Mid Mid (pH 6-8) 4.14 10.62 -37.23 2 4 1 35 357.518 11
Lo Low (pH 4.5-6) 4.14 12.12 -119.72 3 4 2 40 358.526 11

Activity (Go SEA)

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