UCSF

ZINC46504122

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 19 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) 0.10 4.11 -48.77 2 6 1 63 264.353 5
Mid Mid (pH 6-8) 0.10 1.89 -11.92 1 6 0 61 263.345 5

Activity (Go SEA)

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