UCSF

ZINC61698318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 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) 2.39 9.77 -56.15 3 3 1 45 345.264 2
Mid Mid (pH 6-8) 2.39 9.43 -8.35 2 3 0 44 344.256 2
Lo Low (pH 4.5-6) 2.39 10.24 -90.25 4 3 2 47 346.272 2

Activity (Go SEA)

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

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