UCSF

ZINC42455783

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -0.87 0.82 -48.82 3 4 1 51 202.322 5
Hi High (pH 8-9.5) -0.87 2.55 -35.95 3 4 1 51 202.322 5

Activity (Go SEA)

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