UCSF

ZINC22931698

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 3.15 11.74 -35.63 1 3 1 21 324.492 7
Hi High (pH 8-9.5) 3.15 9.56 -3.82 0 3 0 19 323.484 7
Mid Mid (pH 6-8) 3.15 10.83 -32.04 1 3 1 21 324.492 7
Lo Low (pH 4.5-6) 3.15 11.3 -85.65 2 3 2 22 325.5 7

Activity (Go SEA)

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