UCSF

ZINC05499980

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 28 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) 1.76 7.14 -16 1 7 0 105 373.368 1
Lo Low (pH 4.5-6) 1.76 7.39 -52.87 2 7 1 106 374.376 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0565621A1; EP0565621B1; EP0646117A1; EP0963988A2; EP1020468A2; EP1020468A3; US5162532; US5191082; US5200524; US5212317; US5243050; US5247089; US5258516; US5264579; US5315007; US5321140; US5475108; US5478943 IBM Patent Data

Activity (Go SEA)

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