UCSF

ZINC40124136

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 4.76 8.29 -49.09 1 5 -1 78 443.317 7
Lo Low (pH 4.5-6) 4.76 7.53 -9.96 2 5 0 76 444.325 7

Activity (Go SEA)

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