UCSF

ZINC36871798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) -0.61 0.17 -44.71 4 5 1 77 202.278 5
Hi High (pH 8-9.5) -0.61 -0.17 -12.94 3 5 0 75 201.27 5

Activity (Go SEA)

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