UCSF

ZINC49799768

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 41 No

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) 1.81 2.03 -89.09 7 12 0 204 563.563 7
Mid Mid (pH 6-8) 1.81 2.79 -121.36 6 12 -1 207 562.555 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0687249A1; WO1994020062A2 IBM Patent Data

Activity (Go SEA)

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