UCSF

ZINC41573764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.63 7.06 -43.01 1 4 1 42 309.455 3
Hi High (pH 8-9.5) 2.63 4.75 -8.67 0 4 0 41 308.447 3

Activity (Go SEA)

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