UCSF

ZINC31302711

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 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) 2.67 3.19 -9.83 2 3 0 52 195.225 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0114341A2; EP0114341B1; EP0115021A2; US4816379 IBM Patent Data

Activity (Go SEA)

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