UCSF

ZINC27020907

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 34 No

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) 3.85 9.73 -61.91 0 7 -1 88 464.538 8
Lo Low (pH 4.5-6) 3.85 8.91 -16.61 1 7 0 85 465.546 8

Activity (Go SEA)

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