UCSF

ZINC22931674

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 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) 3.62 9.53 -35.43 1 4 1 30 356.534 9
Hi High (pH 8-9.5) 3.62 7.26 -5.38 0 4 0 29 355.526 9
Mid Mid (pH 6-8) 3.62 9.72 -41.07 1 4 1 30 356.534 9
Lo Low (pH 4.5-6) 3.62 10.2 -84.7 2 4 2 31 357.542 9

Activity (Go SEA)

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