UCSF

ZINC49567796

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 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) 3.07 5.21 -41.66 3 4 1 49 329.251 4
Hi High (pH 8-9.5) 3.07 4.48 -7.71 2 4 0 44 328.243 4
Mid Mid (pH 6-8) 3.07 6.96 -37.98 3 4 1 46 329.251 4

Activity (Go SEA)

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

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