UCSF

ZINC12222266

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 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) 2.90 1.3 -54.74 2 5 1 53 379.528 8
Lo Low (pH 4.5-6) 2.90 1.41 -109.54 3 5 2 55 380.536 8

Activity (Go SEA)

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

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