UCSF

ZINC31960156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 0.68 3.2 -50.56 2 6 -1 94 248.262 7
Mid Mid (pH 6-8) 0.68 3.66 -67.33 3 6 0 95 249.27 7
Lo Low (pH 4.5-6) 0.68 2.54 -41.51 4 6 1 93 250.278 7

Activity (Go SEA)

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