UCSF

ZINC42459318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.70 1.58 -36.63 2 5 1 46 230.332 5
Hi High (pH 8-9.5) -0.70 -0.83 -9.59 1 5 0 45 229.324 5
Mid Mid (pH 6-8) -0.70 2.87 -98.15 3 5 2 51 231.34 5

Activity (Go SEA)

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