UCSF

ZINC39251846

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 19 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) -1.36 -4.74 -14.36 2 7 0 93 278.301 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0779346A3; EP0802215A1; EP0921168A1; EP1060223A1; US5641346; US5786429; US5902862; US6022937; WO1999005361A1 IBM Patent Data

Activity (Go SEA)

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