UCSF

ZINC37039663

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.51 4.14 -96.89 4 4 2 48 272.396 4
Mid Mid (pH 6-8) 0.51 1.89 -47.66 3 4 1 47 271.388 4
Mid Mid (pH 6-8) 0.51 2.28 -79.28 4 4 2 48 272.396 4
Lo Low (pH 4.5-6) 0.51 4.54 -176.11 5 4 3 49 273.404 4

Activity (Go SEA)

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