UCSF

ZINC36265255

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 17 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) -0.46 -1.43 -53.25 3 6 1 85 258.323 4
Hi High (pH 8-9.5) -0.46 -1.71 -42.91 2 6 0 87 257.315 4
Hi High (pH 8-9.5) -0.46 -2.89 -11.35 2 6 0 80 257.315 4

Activity (Go SEA)

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