UCSF

ZINC23283286

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 20 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) 1.98 6.08 -43.5 1 5 1 37 284.424 5
Mid Mid (pH 6-8) 1.98 3.86 -5.46 0 5 0 36 283.416 5
Mid Mid (pH 6-8) 1.98 6.21 -41.6 1 5 1 37 284.424 5
Lo Low (pH 4.5-6) 1.98 8.53 -111.42 2 5 2 38 285.432 5

Activity (Go SEA)

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