UCSF

ZINC42476988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) -0.77 1.01 -41.49 3 4 1 57 175.252 5
Hi High (pH 8-9.5) -0.77 0.71 -9.94 2 4 0 56 174.244 5

Activity (Go SEA)

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