UCSF

ZINC38458680

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 23 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) 4.86 11.4 -38.73 1 3 1 31 316.465 4
Hi High (pH 8-9.5) 4.86 9.04 -3.94 0 3 0 30 315.457 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5369113 IBM Patent Data

Activity (Go SEA)

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