UCSF

ZINC03647328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 22 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) 5.95 9.12 -1.61 1 1 0 20 304.518 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0520879B1; EP0546875A2; EP0546875B1; EP0573362B1; EP0574318B1; EP0685487B1; US4500461; US4548748; US4585590; US4831131 IBM Patent Data

Activity (Go SEA)

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