UCSF

ZINC36882018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) 1.85 4.1 -10.6 0 3 0 37 227.757 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1003740A2; WO1997030045A1; WO1999006397A2 IBM Patent Data

Activity (Go SEA)

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