UCSF

ZINC23067073

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 0.92 5.21 -56.69 3 4 1 55 292.33 6
Hi High (pH 8-9.5) 0.92 4.92 -7.34 2 4 0 54 291.322 6

Activity (Go SEA)

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