UCSF

ZINC21800090

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 3.42 9.09 -13.48 1 5 0 50 362.477 5
Mid Mid (pH 6-8) 3.42 9.5 -34.77 2 5 1 51 363.485 5
Mid Mid (pH 6-8) 3.42 11.28 -48.84 2 5 1 51 363.485 5
Lo Low (pH 4.5-6) 3.42 11.69 -110.67 3 5 2 53 364.493 5

Activity (Go SEA)

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