UCSF

ZINC37346631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.58 5.24 -11.65 0 2 0 26 168.167 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0203791A1; US4251546; US4575507; US6133018; WO1999046398A1 IBM Patent Data

Activity (Go SEA)

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