UCSF

ZINC06728127

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 29 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) 0.46 8.69 -12.39 3 9 0 130 392.419 4
Lo Low (pH 4.5-6) 0.46 8.07 -43.09 4 9 1 132 393.427 4

Activity (Go SEA)

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