UCSF

ZINC01448960

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 16 Yes

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) -2.47 -9.24 -15.61 4 7 0 108 235.236 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.37e+02 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0059990A1; EP0221589A1; EP0240726A2; EP0275223A1; EP0275223B1; EP0393626A2; EP0393626B1; EP0510175A1; EP0510175B1; EP0516331A2; EP0516331B1; EP0613197A1; EP0613197B1; EP0623828A1; EP0623828B1; EP0675595B1; EP0820976A1; EP0913731A1; EP0925929A2; EP095862 IBM Patent Data

Activity (Go SEA)

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