UCSF

ZINC42458960

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -0.50 2.29 -44.08 3 4 1 49 239.339 7
Hi High (pH 8-9.5) -0.50 1.87 -4.11 2 4 0 48 238.331 7
Mid Mid (pH 6-8) -0.50 4.29 -129.06 4 4 2 51 240.347 7

Activity (Go SEA)

Rings

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