UCSF

ZINC36475675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 28 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) 3.17 12.01 -51.32 0 7 -1 98 380.376 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0027956A1; EP0087654A1; EP0087656A1; EP0088252A1; US4332727; US4459415; US4477677; US4585880 IBM Patent Data

Activity (Go SEA)

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