UCSF

ZINC61700764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 19 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) 3.97 8.54 -4.06 2 2 0 29 254.377 4
Lo Low (pH 4.5-6) 3.97 8.9 -16.57 3 2 0 30 255.385 4

Activity (Go SEA)

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

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