UCSF

ZINC04098655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 21 No

CAS Number: 18521-72-7

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) 3.87 -2.92 -10.83 3 5 0 94 304.685 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4602913 IBM Patent Data

Activity (Go SEA)

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