UCSF

ZINC20482010

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 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) 3.91 7.47 -53.59 1 4 -1 69 270.393 12
Lo Low (pH 4.5-6) 3.91 6.35 -15.59 2 4 0 66 271.401 12

Activity (Go SEA)

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