UCSF

ZINC41571405

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) 2.05 5.99 -48.42 2 4 1 37 330.374 6
Hi High (pH 8-9.5) 2.05 3.72 -14.49 1 4 0 36 329.366 6
Mid Mid (pH 6-8) 2.05 5.99 -54.15 2 4 1 37 330.374 6

Activity (Go SEA)

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