UCSF

ZINC32208636

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 13 Yes

Other Names:

MFCD00191465

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) 3.09 6.78 -4.94 0 1 0 13 169.227 1
Lo Low (pH 4.5-6) 3.09 7.24 -34.08 1 1 1 14 170.235 1

Vendor Notes

Note Type Comments Provided By
BP 160 / 14.3 TCI
PUBCHEM_PATENT_ID US5175167 IBM Patent Data

Activity (Go SEA)

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