UCSF

ZINC35514208

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 5.71 15.08 -12.24 0 6 0 73 474.516 5
Lo Low (pH 4.5-6) 5.71 15.48 -35.22 1 6 1 74 475.524 5

Activity (Go SEA)

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