UCSF

ZINC41724300

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 0.71 6.87 -42.46 3 3 1 42 257.357 2
Hi High (pH 8-9.5) 0.71 6.57 -5.5 2 3 0 40 256.349 2

Activity (Go SEA)

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