UCSF

ZINC01232085

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 12 Yes

CAS Number: 6627-84-5

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) 2.82 -0.33 -3.42 1 1 0 20 160.216 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4816604 IBM Patent Data

Activity (Go SEA)

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