UCSF

ZINC61452746

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 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) -0.78 0.51 -44.86 3 8 1 103 251.27 5
Hi High (pH 8-9.5) -0.78 0.11 -7.67 2 8 0 101 250.262 5
Lo Low (pH 4.5-6) -0.78 0.98 -100.26 4 8 2 104 252.278 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.