UCSF

ZINC33692858

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 28 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) 3.26 11.17 -14.37 1 4 0 47 369.468 6
Lo Low (pH 4.5-6) 3.26 11.61 -47.67 2 4 1 48 370.476 6

Activity (Go SEA)

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