UCSF

ZINC42463524

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) -0.03 0.28 -40.41 3 4 1 49 229.344 4
Hi High (pH 8-9.5) -0.03 -0.61 -3.81 2 4 0 48 228.336 4
Mid Mid (pH 6-8) -0.03 1.66 -28.97 3 4 1 49 229.344 4

Activity (Go SEA)

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