UCSF

ZINC34384365

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 3.48 8.85 -30.97 2 2 1 16 267.396 4
Lo Low (pH 4.5-6) 3.48 7.76 -40.05 2 2 1 20 267.396 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0406112B1; US5073646 IBM Patent Data

Activity (Go SEA)

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