UCSF

ZINC55669494

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 21 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) 2.29 8.79 -48.68 1 4 1 34 289.399 5
Hi High (pH 8-9.5) 2.29 6.58 -10.2 0 4 0 33 288.391 5

Activity (Go SEA)

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