UCSF

ZINC39649040

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 11 No

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) 0.91 5.69 -48.16 0 3 -1 57 155.173 5
Lo Low (pH 4.5-6) 0.91 3.71 -11.44 1 3 0 54 156.181 5

Activity (Go SEA)

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