UCSF

ZINC34988742

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.83 8.31 -52.73 1 5 1 67 235.263 4
Hi High (pH 8-9.5) 1.83 5.94 -14.64 0 5 0 66 234.255 4

Activity (Go SEA)

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