UCSF

ZINC23248783

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 26 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) 1.92 7.06 -43.36 2 6 1 67 356.446 6
Hi High (pH 8-9.5) 1.92 4.48 -20.17 1 6 0 66 355.438 6

Activity (Go SEA)

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