UCSF

ZINC21327149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 16 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) 0.62 3.31 -10.5 3 5 0 85 234.284 4
Mid Mid (pH 6-8) 0.62 3.13 -48.72 2 5 -1 83 233.276 4

Activity (Go SEA)

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