UCSF

ZINC11841973

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 35 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) 2.65 -3.55 -16.88 1 7 0 81 489.597 4
Lo Low (pH 4.5-6) 2.65 -3.49 -53.81 2 7 1 82 490.605 4

Activity (Go SEA)

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

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