UCSF

ZINC01679980

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 22 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) 1.78 -3.12 -21.7 2 5 0 75 316.382 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4314989 IBM Patent Data

Activity (Go SEA)

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