UCSF

ZINC20363233

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 24 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) 2.85 5.87 -44.71 1 6 1 56 331.44 7
Hi High (pH 8-9.5) 2.85 3.78 -7.12 0 6 0 55 330.432 7
Mid Mid (pH 6-8) 2.85 5.75 -42.21 1 6 1 56 331.44 7
Mid Mid (pH 6-8) 2.85 8.09 -123.89 2 6 2 57 332.448 7

Activity (Go SEA)

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