UCSF

ZINC54910358

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 1.23 4.48 -42.88 2 4 1 41 254.379 1
Mid Mid (pH 6-8) 1.23 2.13 -6.6 1 4 0 40 253.371 1

Activity (Go SEA)

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

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