UCSF

ZINC31961610

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 1.84 6.15 -50.87 1 6 -1 85 292.359 7
Mid Mid (pH 6-8) 1.84 6.45 -62.86 2 6 0 87 293.367 7
Lo Low (pH 4.5-6) 1.84 5.33 -37.73 3 6 1 84 294.375 7

Activity (Go SEA)

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