UCSF

ZINC31484191

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 34 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
Hi High (pH 8-9.5) 3.41 7.76 -11.8 0 6 0 48 487.019 9
Mid Mid (pH 6-8) 3.41 10.1 -38.53 1 6 1 50 488.027 9

Activity (Go SEA)

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