UCSF

ZINC00393646

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 13 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) 2.28 0.96 -32.91 2 2 1 25 180.271 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0305873A2; US3944422; US3948661; US3950171; US3976488; US4929534 IBM Patent Data

Activity (Go SEA)

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