UCSF

ZINC19172753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 12 No

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) -0.18 3.11 -40.33 4 3 1 56 166.248 5
Hi High (pH 8-9.5) -0.18 2.56 -6.44 3 3 0 51 165.24 5
Hi High (pH 8-9.5) -0.18 2.35 -43.13 4 3 1 53 166.248 5
Mid Mid (pH 6-8) -0.18 3.48 -87.43 5 3 2 57 167.256 5
Lo Low (pH 4.5-6) -0.18 2.73 -83.33 5 3 2 54 167.256 5

Activity (Go SEA)

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

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