UCSF

ZINC04081837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 18 No

CAS Number: 5956-04-7

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) 1.61 8.17 -11.74 0 3 0 43 246.306 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5663196; WO1995006476A1 IBM Patent Data

Activity (Go SEA)

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