UCSF

ZINC00967784

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 10 No

CAS Number: 496-49-1

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) 0.55 1.7 -36.27 1 2 1 21 142.222 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0245505A1; EP0245505B2; US4241536; US4556515; US5115035; US5332784; US5959187; WO1998012913A1 IBM Patent Data

Activity (Go SEA)

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