UCSF

ZINC37824937

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -0.81 1.31 -86.21 5 5 2 73 245.367 5
Hi High (pH 8-9.5) -0.81 0.99 -32.58 4 5 1 71 244.359 5

Activity (Go SEA)

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