UCSF

ZINC19798446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 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) -2.69 1.43 -72.29 7 8 0 157 257.275 5
Hi High (pH 8-9.5) -2.69 1.51 -49.81 6 8 -1 155 256.267 5
Mid Mid (pH 6-8) -2.69 1.46 -45.31 6 8 0 155 256.267 5
Lo Low (pH 4.5-6) -2.81 0.48 -60.69 7 8 0 159 257.275 4
Lo Low (pH 4.5-6) -2.81 1.29 -46.16 6 8 -1 157 256.267 4

Activity (Go SEA)

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

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