UCSF

ZINC40048399

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 32 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) 3.52 7.2 -61.46 1 7 -1 99 438.5 11
Lo Low (pH 4.5-6) 3.52 6.46 -13.38 2 7 0 96 439.508 11

Activity (Go SEA)

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