UCSF

ZINC37202178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 4.00 9.73 -33.47 2 2 1 16 273.444 6
Mid Mid (pH 6-8) 4.00 8.66 -41.43 2 2 1 20 273.444 6
Lo Low (pH 4.5-6) 4.00 10.94 -108.48 3 2 2 21 274.452 6

Activity (Go SEA)

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

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