UCSF

ZINC29326167

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 21 No

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) -2.40 6.22 -40.75 1 4 1 41 289.399 4
Hi High (pH 8-9.5) -2.40 7.01 -61.89 0 4 0 43 288.391 4
Mid Mid (pH 6-8) -2.40 8.58 -124.58 2 4 2 42 290.407 4

Activity (Go SEA)

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