UCSF

ZINC33820301

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.31 12.53 -43.58 0 2 -1 40 249.374 11
Lo Low (pH 4.5-6) 5.31 10.56 -5.47 1 2 0 37 250.382 11

Activity (Go SEA)

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