UCSF

ZINC48347140

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 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) -0.56 1.53 -35.98 2 4 1 45 175.252 5
Hi High (pH 8-9.5) -0.56 -0.74 -11.11 1 4 0 44 174.244 5

Activity (Go SEA)

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