UCSF

ZINC02579083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

CAS Number: 41036-33-3

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) -1.75 -6.43 -44.76 6 5 1 99 160.197 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0489220A1 IBM Patent Data

Activity (Go SEA)

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