UCSF

ZINC71491448

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 15 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) 1.65 5.05 -48.06 0 4 -1 66 201.205 3
Lo Low (pH 4.5-6) 1.65 3.08 -11 1 4 0 63 202.213 3

Activity (Go SEA)

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

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