UCSF

ZINC37839383

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 0.72 8.21 -17.38 0 4 0 51 235.283 5
Hi High (pH 8-9.5) 0.73 7.13 -52.07 0 4 -1 57 234.275 5

Activity (Go SEA)

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