UCSF

ZINC22876455

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.99 0.26 -50.4 5 7 1 106 357.5 9
Hi High (pH 8-9.5) 0.99 -1.78 -19.76 4 7 0 105 356.492 9
Mid Mid (pH 6-8) 0.99 -0.39 -60.37 5 7 1 109 357.5 9
Lo Low (pH 4.5-6) 0.99 1.9 -131.3 6 7 2 110 358.508 9

Activity (Go SEA)

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