UCSF

ZINC17243561

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 36 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) 3.04 8.99 -15.6 3 10 0 123 484.516 6
Lo Low (pH 4.5-6) 3.04 9.28 -46.68 4 10 1 125 485.524 6

Activity (Go SEA)

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