UCSF

ZINC19909817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 22 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) 2.25 6.39 -51.96 1 5 -1 78 315.374 3
Lo Low (pH 4.5-6) 2.25 6.8 -46.19 2 5 0 79 316.382 3

Activity (Go SEA)

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