UCSF

ZINC41291096

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.92 7.54 -47.32 2 5 1 54 316.425 5
Mid Mid (pH 6-8) 0.92 5.33 -11.67 1 5 0 53 315.417 5

Activity (Go SEA)

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