UCSF

ZINC18286010

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 16 Yes

CAS Number: 951-77-9

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) -1.97 -5.87 -16.07 4 7 0 111 227.22 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0122151A2; US4046879; US4783402; US5397706; WO1993009220A1 IBM Patent Data

Activity (Go SEA)

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