UCSF

ZINC34445810

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 33 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) 3.14 10.81 -23.24 1 9 0 117 454.41 8
Hi High (pH 8-9.5) 3.60 6.57 -54.01 0 9 -1 120 453.402 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0202056A1; US4868162; US4916121 IBM Patent Data

Activity (Go SEA)

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