UCSF

ZINC31945827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 12 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) 2.44 6.61 -39.86 1 2 1 28 169.292 4
Hi High (pH 8-9.5) 2.44 4.82 -3.97 0 2 0 27 168.284 4

Activity (Go SEA)

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