UCSF

ZINC01438781

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 15 Yes

Other Names:

MFCD03764807

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) 1.46 1.69 -52.96 1 5 -1 86 228.249 4
Hi High (pH 8-9.5) 1.46 1.77 -95.98 0 5 -2 88 227.241 4

Activity (Go SEA)

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