UCSF

ZINC34349782

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) 2.98 3.93 -2.21 1 1 0 20 156.269 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0030761A1; EP0058512A1; EP0293910A2; EP0293910B1; EP0326086A2; EP0326086B1; EP0347940A2; EP0347940B1; EP0347944A2; EP0347944B1; EP0350893A1; EP0350893B1; EP0350935A1; EP0350935B1; EP0350936A2; EP0350936B1; EP0351587A2; EP0351587B1; EP0352480A2; EP035248 IBM Patent Data

Activity (Go SEA)

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