UCSF

ZINC40023000

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 23 No

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) 0.99 5.41 -58.01 0 6 -1 86 309.301 5
Lo Low (pH 4.5-6) 0.99 5.12 -44.77 2 6 1 85 311.317 5
Lo Low (pH 4.5-6) 0.99 4.68 -13.18 1 6 0 84 310.309 5
Lo Low (pH 4.5-6) 0.99 5.87 -69.56 1 6 0 88 310.309 5

Activity (Go SEA)

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