UCSF

ZINC34220039

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 20 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) 1.38 7.36 -9.27 1 5 0 76 273.288 5
Mid Mid (pH 6-8) 2.68 7.52 -50.64 0 5 -1 79 272.28 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0339768A1; US5089498 IBM Patent Data

Activity (Go SEA)

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