UCSF

ZINC37221493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.41 9.94 -75.47 3 3 2 21 297.531 7
Mid Mid (pH 6-8) 3.41 8.63 -96.76 3 3 2 24 297.531 7
Lo Low (pH 4.5-6) 3.41 10.86 -177.76 4 3 3 25 298.539 7

Activity (Go SEA)

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

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