UCSF

ZINC41758381

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 1.86 8.63 -49.67 1 3 -1 52 246.33 3
Mid Mid (pH 6-8) 1.86 8.74 -31.55 2 3 0 57 247.338 3

Activity (Go SEA)

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