UCSF

ZINC53136928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 3.31 7.44 -6.81 1 4 0 51 270.38 5
Mid Mid (pH 6-8) 3.31 7.75 -30.72 2 4 1 52 271.388 5
Lo Low (pH 4.5-6) 3.31 7.9 -32.25 2 4 1 52 271.388 5
Lo Low (pH 4.5-6) 3.31 8.2 -79.47 3 4 2 53 272.396 5

Activity (Go SEA)

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