UCSF

ZINC09985703

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 33 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) 2.75 -3.69 -17.53 3 9 0 119 487.607 9
Mid Mid (pH 6-8) 2.75 -3.45 -48.45 4 9 1 120 488.615 9

Activity (Go SEA)

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