UCSF

ZINC38430922

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 22 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) 1.50 4.46 -13.03 1 5 0 53 327.787 3
Lo Low (pH 4.5-6) 1.50 6.61 -46.57 2 5 1 54 328.795 3

Activity (Go SEA)

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