UCSF

ZINC34102612

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 30 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) 3.77 11.44 -46.72 2 6 1 72 449.98 8
Hi High (pH 8-9.5) 3.77 10.08 -11.18 1 6 0 68 448.972 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0158339A2; US4585768 IBM Patent Data

Activity (Go SEA)

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