UCSF

ZINC04072020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 16 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) 3.98 0.25 -3.98 1 1 0 20 240.774 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0292735A1; EP0292735B1; EP0713848B1; US5112978; US5831132 IBM Patent Data

Activity (Go SEA)

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