UCSF

ZINC42468024

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.36 5.92 -116.46 4 3 2 41 242.407 4
Hi High (pH 8-9.5) 1.36 3.98 -39.53 3 3 1 40 241.399 4
Hi High (pH 8-9.5) 1.36 5.66 -28.87 3 3 1 40 241.399 4

Activity (Go SEA)

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