UCSF

ZINC61642341

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 20 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) 1.35 3.22 -90.32 4 4 2 39 318.918 6
Hi High (pH 8-9.5) 1.35 2.87 -35.5 3 4 1 37 317.91 6
Hi High (pH 8-9.5) 1.35 0.73 -48.31 3 4 1 37 317.91 6

Activity (Go SEA)

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