UCSF

ZINC41584089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.06 9.59 -37.89 2 4 1 51 325.432 7
Mid Mid (pH 6-8) 5.06 10.36 -24.2 1 4 0 54 324.424 7

Activity (Go SEA)

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