UCSF

ZINC24385898

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 27 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) 3.18 8.73 -13.89 0 5 0 42 372.44 6
Mid Mid (pH 6-8) 3.18 10.96 -51.47 1 5 1 43 373.448 6

Activity (Go SEA)

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