UCSF

ZINC34993218

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 3.48 6.83 -38.58 3 4 1 55 358.3 9
Hi High (pH 8-9.5) 3.48 5.63 -9.38 2 4 0 50 357.292 9

Activity (Go SEA)

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