UCSF

ZINC43975429

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 16 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) 3.75 8.7 -100.04 3 2 2 21 230.44 10
Hi High (pH 8-9.5) 3.75 7.63 -28.36 2 2 1 16 229.432 10
Mid Mid (pH 6-8) 3.75 6.42 -34.69 2 2 1 20 229.432 10

Activity (Go SEA)

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