UCSF

ZINC22934566

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.56 6.88 -40.98 2 7 1 71 392.483 5
Hi High (pH 8-9.5) 2.56 6.44 -20.46 1 7 0 70 391.475 5
Mid Mid (pH 6-8) 2.56 8.8 -46.33 2 7 1 71 392.483 5
Lo Low (pH 4.5-6) 2.56 9.08 -98.77 3 7 2 72 393.491 5

Activity (Go SEA)

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