UCSF

ZINC20075315

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 1.39 3.69 -48.57 3 4 1 49 251.398 5
Lo Low (pH 4.5-6) 1.39 5.66 -126.79 4 4 2 50 252.406 5

Activity (Go SEA)

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