UCSF

ZINC00103700

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

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) 2.98 0.72 -6.94 1 4 0 51 264.284 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0257433A2; EP0257433B1; US4757146 IBM Patent Data

Activity (Go SEA)

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