UCSF

ZINC55042188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 28 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) 2.61 9.87 -46.38 0 8 -1 102 383.428 6
Lo Low (pH 4.5-6) 2.61 10.96 -45.05 1 8 0 103 384.436 6

Activity (Go SEA)

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

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