UCSF

ZINC34439069

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 16 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) 2.82 5.98 -6.39 1 2 0 44 215.296 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0122389A2; EP0330216A2; EP0330216B1; EP0360080A1; EP0360080B1; EP0377469B1; EP0392515A1; EP0392515B1; US4565425; US4676604; US4880562; US4898455; US5013478; US5053162; US5183587; US5202055 IBM Patent Data

Activity (Go SEA)

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