UCSF

ZINC13544577

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 No

CAS Number: 146-77-0

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) 0.14 -3.96 -13.19 5 9 0 140 301.69 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010668A1; EP0191561A2; EP0191561B1; EP0198921A1; EP0200508A2; EP0200508B1; EP0203721A2; EP0203721B1; EP0253962A2; EP0253962B1; EP0267607A1; EP0267607B1; EP0269574A2; EP0269574B1; EP0323807A2; EP0354638A2; EP0381193A2; EP0381193B1; EP0383868A1; EP039011 IBM Patent Data

Activity (Go SEA)

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