UCSF

ZINC42551901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 2.44 6.1 -104.77 4 2 2 32 202.386 8
Hi High (pH 8-9.5) 2.44 4.2 -40 3 2 1 31 201.378 8
Hi High (pH 8-9.5) 2.44 5.79 -29.03 3 2 1 30 201.378 8

Activity (Go SEA)

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