UCSF

ZINC12493976

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 21 No

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) 3.61 4.26 -3.53 2 2 0 40 292.463 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0052799A1; EP0127829A2; EP0195015A1; EP0195015B1; EP0240630A2; EP0277002A2; EP0277002B1; EP0289327A2; EP0289327B1; EP0343954A2; EP0343954B1; EP0375344A1; EP0375344B1; EP0375345A1; EP0375345B1; EP0375347A1; EP0375347B1; EP0375351A1; EP0375351B1; EP041453 IBM Patent Data

Activity (Go SEA)

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