UCSF

ZINC43966469

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 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) 2.39 4.61 -31.96 2 3 1 29 241.399 4
Hi High (pH 8-9.5) 2.39 3.43 -1.59 1 3 0 24 240.391 4
Hi High (pH 8-9.5) 2.39 5.4 -31.34 2 3 1 26 241.399 4

Activity (Go SEA)

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