UCSF

ZINC08602500

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 29 No

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) 2.14 -2.81 -146.46 3 8 -1 135 420.825 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0455006A2; EP0455006B1; US5061727; US5245053 IBM Patent Data

Activity (Go SEA)

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