UCSF

ZINC39376385

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 19 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) 2.09 4.35 -9.77 3 5 0 81 255.277 3
Mid Mid (pH 6-8) 2.09 4.8 -32.48 4 5 1 82 256.285 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0030254A1; US4371536; US5010077 IBM Patent Data

Activity (Go SEA)

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