UCSF

ZINC62771681

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2011 17 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) 2.03 4.63 -35.09 2 3 1 33 235.351 4
Hi High (pH 8-9.5) 2.03 3.64 -3.09 1 3 0 28 234.343 4
Mid Mid (pH 6-8) 2.03 6.16 -30.71 2 3 1 30 235.351 4
Mid Mid (pH 6-8) 2.03 7.14 -98.69 3 3 2 34 236.359 4

Activity (Go SEA)

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

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