UCSF

ZINC27762864

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 26 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) 0.45 1.98 -56.35 4 6 1 84 362.446 3
Hi High (pH 8-9.5) 0.45 -0.25 -11.43 3 6 0 82 361.438 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0039444A1; US4275205 IBM Patent Data

Activity (Go SEA)

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