UCSF

ZINC31961674

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 0.25 4.35 -54.78 1 8 -1 104 324.357 11
Mid Mid (pH 6-8) 0.25 4.78 -61.54 2 8 0 105 325.365 11
Lo Low (pH 4.5-6) 0.25 3.66 -35.62 3 8 1 102 326.373 11

Activity (Go SEA)

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