UCSF

ZINC48611197

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 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) 0.32 1.56 -50.13 4 6 1 86 266.321 7
Hi High (pH 8-9.5) 0.32 -0.79 -18.37 3 6 0 85 265.313 7

Activity (Go SEA)

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