UCSF

ZINC03907096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 25 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) 4.28 13.96 -10.57 1 6 0 69 340.427 7
Hi High (pH 8-9.5) 4.45 13.76 -37.38 0 6 -1 71 339.419 7

Activity (Go SEA)

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