UCSF

ZINC41510979

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 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) 4.11 9.09 -45.61 2 6 1 73 394.447 3
Mid Mid (pH 6-8) 4.11 9.67 -30.36 1 6 0 76 393.439 3

Activity (Go SEA)

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