UCSF

ZINC40442069

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 20 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) 0.65 4.29 -47.1 5 7 1 92 292.392 6
Hi High (pH 8-9.5) 1.15 4.6 -96.43 4 7 -1 94 290.376 4
Hi High (pH 8-9.5) 1.15 5.19 -41.28 5 7 0 95 291.384 4
Mid Mid (pH 6-8) 1.11 4.75 -51.32 5 7 0 93 291.384 5
Mid Mid (pH 6-8) 0.65 4.23 -44.56 4 7 0 91 291.384 6

Activity (Go SEA)

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

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