UCSF

ZINC23441175

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2009 30 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) 3.50 9.11 -9.03 1 5 0 53 411.521 7
Mid Mid (pH 6-8) 3.50 11.38 -46.88 2 5 1 54 412.529 7

Activity (Go SEA)

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