UCSF

ZINC41510768

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 Yes

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) 4.20 8.24 -38.18 2 4 1 51 351.348 5
Mid Mid (pH 6-8) 4.20 8.9 -21.71 1 4 0 54 350.34 5

Activity (Go SEA)

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