UCSF

ZINC37715751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 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) 2.32 8.41 -43.42 3 4 1 57 279.367 4
Lo Low (pH 4.5-6) 2.32 8.87 -93.66 4 4 2 58 280.375 4

Activity (Go SEA)

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

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