UCSF

ZINC27527727

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 4.61 12.31 -64.67 0 6 -1 73 453.518 7
Lo Low (pH 4.5-6) 4.61 11.35 -17.33 1 6 0 70 454.526 7

Activity (Go SEA)

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