UCSF

ZINC41511944

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.68 8.29 -39.09 2 4 1 55 316.421 2
Mid Mid (pH 6-8) 3.68 9.08 -27.3 1 4 0 58 315.413 2

Activity (Go SEA)

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