UCSF

ZINC35411580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 10 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) 0.80 2.85 -40.39 3 3 1 54 146.21 5
Mid Mid (pH 6-8) 0.80 2.53 -3.3 2 3 0 52 145.202 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0271040A2 IBM Patent Data

Activity (Go SEA)

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