UCSF

ZINC37024517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 11 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) 1.47 5.23 -43.07 0 3 -1 49 159.205 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0383346A2; EP0383346B1; EP0578473B1; EP0640624B1; EP0704424A1; EP0704424B1; EP0717053A2; EP0717053A3; EP0728776B1; EP0790260A1; EP0849291A1; US5041403; US5407883; US5476825; US5693729; US5849654; US5891965; US5902765; US6015867; US6063727; US6096844; US IBM Patent Data

Activity (Go SEA)

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