UCSF

ZINC53136956

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) 3.15 7.45 -6.8 1 4 0 51 270.38 6
Mid Mid (pH 6-8) 3.15 7.94 -31.78 2 4 1 52 271.388 6
Lo Low (pH 4.5-6) 3.15 7.91 -32.23 2 4 1 52 271.388 6
Lo Low (pH 4.5-6) 3.15 8.4 -80.35 3 4 2 53 272.396 6

Activity (Go SEA)

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