UCSF

ZINC14588414

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 11 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) 2.49 3.64 -2.33 1 1 0 20 152.237 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0269987B1; EP0302424A1; EP0302424B1; EP0321853A1; EP0321853B1 IBM Patent Data

Activity (Go SEA)

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