UCSF

ZINC00338302

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

CAS Number: 642-39-7

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) 3.56 4.18 -12.37 2 4 0 67 272.3 4
Hi High (pH 8-9.5) 3.56 5.19 -55.7 1 4 -1 70 271.292 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6001368 IBM Patent Data

Activity (Go SEA)

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