UCSF

ZINC41442715

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 20 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) 0.08 3.54 -41.53 2 6 1 55 280.396 6
Hi High (pH 8-9.5) 0.08 1.26 -10.27 1 6 0 53 279.388 6
Hi High (pH 8-9.5) 0.08 3.54 -45.28 2 6 1 55 280.396 6

Activity (Go SEA)

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