UCSF

ZINC59656817

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 18 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) 2.22 7.18 -12.72 0 4 0 45 252.31 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0328669A1 IBM Patent Data

Activity (Go SEA)

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