UCSF

ZINC48611290

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.17 4.9 -32.02 2 5 1 52 281.376 8
Hi High (pH 8-9.5) 1.17 2.36 -10.72 1 5 0 51 280.368 8

Activity (Go SEA)

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