UCSF

ZINC34676841

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 29 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) 3.28 10.76 -11.11 1 8 0 74 416.913 3
Mid Mid (pH 6-8) 3.28 10.98 -35.09 2 8 1 75 417.921 3

Activity (Go SEA)

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