UCSF

ZINC49332543

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) 2.58 8.34 -39.95 2 4 1 46 294.444 6
Mid Mid (pH 6-8) 2.40 8.31 -35.96 1 4 0 53 293.436 6

Activity (Go SEA)

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