UCSF

ZINC22931550

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 2.19 7.83 -45.77 1 3 1 21 306.38 7
Hi High (pH 8-9.5) 2.19 5.18 -5.66 0 3 0 19 305.372 7
Mid Mid (pH 6-8) 2.19 7.74 -47.23 1 3 1 21 306.38 7
Lo Low (pH 4.5-6) 2.19 8.08 -105.19 2 3 2 22 307.388 7

Activity (Go SEA)

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