UCSF

ZINC63190930

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 21 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) 2.32 5.87 -65.33 4 6 1 103 286.311 4
Hi High (pH 8-9.5) 2.32 5.47 -17.37 3 6 0 101 285.303 4

Activity (Go SEA)

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