UCSF

ZINC12153391

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2008 10 Yes

CAS Numbers: 41546-29-6 , 41546-31-0 , 609-06-3

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) -1.48 -10.56 -8.24 4 5 0 90 150.13 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4425427 IBM Patent Data

Activity (Go SEA)

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