UCSF

ZINC41527534

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 0.61 6.26 -22.65 1 5 0 62 297.358 5
Lo Low (pH 4.5-6) 0.61 6.71 -47.89 2 5 1 64 298.366 5

Activity (Go SEA)

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