UCSF

ZINC01530154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 13 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) -0.29 -5.15 -48.74 3 7 -1 134 191.115 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0007751A1; EP0032830A2; US4159990; US4180511; US4202942; US4212988; US4230880; US4245049; US4337350 IBM Patent Data

Activity (Go SEA)

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