UCSF

ZINC49377203

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 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) -1.38 7.06 -24.31 0 6 0 86 245.286 6
Mid Mid (pH 6-8) -1.38 7.9 -51.37 1 6 1 87 246.294 6

Activity (Go SEA)

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