UCSF

ZINC36935166

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 2.80 5.96 -48.3 3 4 1 55 296.341 6
Hi High (pH 8-9.5) 2.80 4.85 -9.72 2 4 0 50 295.333 6

Activity (Go SEA)

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