UCSF

ZINC03649926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 15 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) 0.09 -2.75 -45.97 2 5 -1 89 211.193 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0005779A2; EP0028375A1; US4218380; US4339594; US4401830 IBM Patent Data

Activity (Go SEA)

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