UCSF

ZINC62035304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 19 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) 2.74 8.31 -106.6 3 3 2 30 270.461 9
Mid Mid (pH 6-8) 2.74 6.83 -35.61 2 3 1 29 269.453 9

Activity (Go SEA)

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

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