UCSF

ZINC53445985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 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) 1.70 5.99 -43.67 2 4 1 42 281.42 12
Hi High (pH 8-9.5) 1.70 7.05 -33.92 2 4 1 39 281.42 12
Mid Mid (pH 6-8) 1.70 8.41 -120.1 3 4 2 43 282.428 12

Activity (Go SEA)

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

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