UCSF

ZINC22788544

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 1.09 1.09 -13.95 2 6 0 65 322.384 5
Lo Low (pH 4.5-6) 1.09 3.37 -37.7 3 6 1 66 323.392 5

Activity (Go SEA)

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