UCSF

ZINC08439109

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 31 Yes

Other Names:

MFCD03472227

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) 6.50 -1.81 -10.09 1 5 0 68 441.593 7
Hi High (pH 8-9.5) 6.50 -1.24 -44.92 0 5 -1 70 440.585 7

Activity (Go SEA)

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