UCSF

ZINC59029055

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2011 14 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) 0.49 0.82 -39.23 4 3 1 57 196.27 5
Hi High (pH 8-9.5) 0.49 0.51 -4.06 3 3 0 55 195.262 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0423705A2; EP0423705B1; US5202484; US5284966; US5401852 IBM Patent Data

Activity (Go SEA)

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