UCSF

ZINC02539301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 7 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) 1.45 0.08 -1.61 0 1 0 9 100.161 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0142741A2; EP0177913A1; EP0207389A1; EP0218233A2; EP0393256A1; US4624696; US4654073; US4761486; US4835177; US4894392; US4923852; US4925831; US4948415 IBM Patent Data

Activity (Go SEA)

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