UCSF

ZINC49304672

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 3.28 8.11 -8.59 1 4 0 45 275.396 5
Mid Mid (pH 6-8) 3.28 8.56 -31.24 2 4 1 46 276.404 5

Activity (Go SEA)

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