UCSF

ZINC34577224

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 3.31 7.19 -11.68 1 6 0 73 324.384 3
Mid Mid (pH 6-8) 3.77 5.49 -55.74 0 6 -1 76 323.376 3

Activity (Go SEA)

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