UCSF

ZINC22936823

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 20 Yes

Other Names:

MFCD09693392

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) 1.80 5.93 -41.95 2 4 1 38 277.388 5
Mid Mid (pH 6-8) 1.80 6.46 -32.28 2 4 1 35 277.388 5
Lo Low (pH 4.5-6) 1.80 7.72 -120.04 3 4 2 40 278.396 5

Activity (Go SEA)

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