UCSF

ZINC39363562

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 1.40 3.19 -39.68 3 2 1 29 177.271 1
Hi High (pH 8-9.5) 1.40 3.14 -36.53 3 2 1 29 177.271 1
Hi High (pH 8-9.5) 1.40 1.84 -2.38 2 2 0 24 176.263 1
Lo Low (pH 4.5-6) 1.40 4.49 -120.96 4 2 2 33 178.279 1

Activity (Go SEA)

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