UCSF

ZINC39327922

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 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) 2.75 5.15 -10.08 3 6 0 84 435.578 4
Mid Mid (pH 6-8) 2.75 5.53 -32.17 4 6 1 85 436.586 4
Mid Mid (pH 6-8) 2.75 7.56 -49.58 4 6 1 85 436.586 4
Lo Low (pH 4.5-6) 2.75 8.03 -85.83 5 6 2 87 437.594 4

Activity (Go SEA)

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