UCSF

ZINC34682183

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 4.30 10.68 -41.71 3 6 1 70 425.597 7
Lo Low (pH 4.5-6) 4.30 11.03 -96.66 4 6 2 71 426.605 7

Activity (Go SEA)

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