UCSF

ZINC39321005

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 16 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) 1.87 3.8 -42.47 3 5 1 73 221.236 3
Mid Mid (pH 6-8) 1.87 3.89 -8.27 2 5 0 71 220.228 3
Mid Mid (pH 6-8) 1.74 3.5 -10.89 2 5 0 74 220.228 3
Mid Mid (pH 6-8) 1.87 3.86 -7.93 2 5 0 71 220.228 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4254118 IBM Patent Data

Activity (Go SEA)

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