UCSF

ZINC36456296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 15 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) 3.07 8.1 -9.4 0 2 0 26 200.237 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0337819A1; EP0562832A1; EP0601181A1; EP0712403A1; EP0712403B1; US4054571; US4057550; US4933355; US5432195; US5773428; US6013792; WO2000063153A1 IBM Patent Data

Activity (Go SEA)

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