UCSF

ZINC37415132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 18 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) 3.94 10.43 -39.09 1 2 1 22 248.39 6
Hi High (pH 8-9.5) 3.94 8.45 -6.53 0 2 0 20 247.382 6

Activity (Go SEA)

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