UCSF

ZINC01249884

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 14 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) 1.72 6.34 -8.49 0 3 0 27 188.23 2
Mid Mid (pH 6-8) 1.72 6.84 -35.79 1 3 1 28 189.238 2

Activity (Go SEA)

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