UCSF

ZINC34518968

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 Yes

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) 1.29 3.91 -32.64 2 2 1 25 166.244 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0187039A1; EP0234934A2; EP0234934B2; EP0305083A2; EP0305083B1; EP0881210A1; US4732904; US4819057; US4880660; US5081164; US5962739; WO1999005170A1; WO1999005171A1 IBM Patent Data

Activity (Go SEA)

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