UCSF

ZINC43912578

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 2.97 -36.48 2 4 1 38 245.387 8
Hi High (pH 8-9.5) 1.48 2.23 -2.38 1 4 0 34 244.379 8
Hi High (pH 8-9.5) 1.48 5.65 -25.52 2 4 1 35 245.387 8

Activity (Go SEA)

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