UCSF

ZINC42013406

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 15 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) 3.23 7.4 -7.98 1 3 0 42 201.273 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0527851A1; EP0527851B1; EP0619819A1; EP0619819B1; EP0936221A1 IBM Patent Data

Activity (Go SEA)

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