UCSF

ZINC32153116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 11 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) 3.93 7.92 -1.84 0 0 0 0 168.305 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0303269A2; US4992534 IBM Patent Data

Activity (Go SEA)

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