UCSF

ZINC34550294

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 1.80 6.37 -5.3 0 2 0 12 209.264 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0298982A1; EP0298982B1; EP0648220A1; EP0661291A1; EP0710667A2; EP0710667A3; EP1003758A2; US5623068; US5625046; US5631362; US5652358; US5721350; US5789562; US5808035; US5844106; US5866700; US5945524; US6048975; US6066720; US6150510; WO1999009041A2; WO200 IBM Patent Data

Activity (Go SEA)

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