UCSF

ZINC95863025

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -2.05 -4.94 -34.36 2 7 -1 117 178.131 0
Hi High (pH 8-9.5) -2.04 -6.31 -92.29 1 7 -2 120 177.123 0
Mid Mid (pH 6-8) -2.31 -2.34 -7.71 3 7 0 111 179.139 0
Mid Mid (pH 6-8) -2.04 -6.31 -92.32 1 7 -2 120 177.123 0
Mid Mid (pH 6-8) -1.86 -4.4 -38.55 2 7 -1 114 178.131 0
Lo Low (pH 4.5-6) -1.86 -4.41 -39.54 2 7 -1 114 178.131 0

Activity (Go SEA)

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

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