UCSF

ZINC43912581

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.48 3.03 -28.88 2 4 1 38 245.387 8
Hi High (pH 8-9.5) 1.48 1.73 -2.07 1 4 0 34 244.379 8
Hi High (pH 8-9.5) 1.48 3.85 -27.94 2 4 1 35 245.387 8

Activity (Go SEA)

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