UCSF

ZINC36720349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 15 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) 1.08 3.14 -5.82 3 3 0 51 199.257 3
Lo Low (pH 4.5-6) 1.08 3.55 -33.23 4 3 1 52 200.265 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0946508A1; US6020357 IBM Patent Data

Activity (Go SEA)

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