UCSF

ZINC52813308

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 16 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) 2.71 7.09 -24.2 3 3 1 43 220.34 4
Mid Mid (pH 6-8) 2.71 6.65 -4.69 2 3 0 42 219.332 4
Mid Mid (pH 6-8) 2.71 6.26 -25.4 3 3 1 43 220.34 4

Activity (Go SEA)

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

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