UCSF

ZINC42372748

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 1.33 3.73 -93.3 4 3 2 35 201.358 4
Hi High (pH 8-9.5) 1.33 1.49 -37.07 3 3 1 34 200.35 4
Mid Mid (pH 6-8) 1.33 3.31 -112.3 4 3 2 35 201.358 4
Mid Mid (pH 6-8) 1.33 3.35 -28.44 3 3 1 34 200.35 4

Activity (Go SEA)

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