UCSF

ZINC03096510

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 8 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) 1.21 -1.78 -2.2 1 1 0 20 112.172 0

Vendor Notes

Note Type Comments Provided By
MP 128 TCI
BP 177 TCI
PUBCHEM_PATENT_ID US5270206; US5395935 IBM Patent Data

Activity (Go SEA)

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