UCSF

ZINC00603370

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 27 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) 2.94 -5.73 -14.44 6 7 0 129 361.384 3
Mid Mid (pH 6-8) 2.94 -5.5 -37.6 7 7 1 130 362.392 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4874763 IBM Patent Data

Activity (Go SEA)

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