UCSF

ZINC21790998

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 4.49 9.29 -4.08 1 1 0 12 225.335 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4251446; US4257954; US4307018; US4322352; US4343493; US4351768; US4417059; US4494989; US4595768; US4732991 IBM Patent Data

Activity (Go SEA)

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