UCSF

ZINC42034644

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 13 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) 2.37 5.72 -109.32 3 2 2 21 188.359 7
Mid Mid (pH 6-8) 2.37 4.93 -36.9 2 2 1 20 187.351 7
Mid Mid (pH 6-8) 2.37 5.28 -29.91 2 2 1 16 187.351 7

Activity (Go SEA)

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