UCSF

ZINC40048585

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 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) 3.96 8.26 -54.25 1 6 -1 90 487.37 9
Lo Low (pH 4.5-6) 3.96 7.52 -11.71 2 6 0 87 488.378 9

Activity (Go SEA)

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