UCSF

ZINC70187488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 2.00 7.38 -97.78 4 4 2 50 288.439 4
Mid Mid (pH 6-8) 2.00 5.98 -76.96 4 4 2 50 288.439 4
Mid Mid (pH 6-8) 2.00 5.16 -50.23 3 4 1 49 287.431 4

Activity (Go SEA)

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

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