UCSF

ZINC26154347

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 30 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) 1.07 4.01 -65.78 5 8 1 123 431.538 9
Mid Mid (pH 6-8) 1.07 1.69 -21.12 4 8 0 122 430.53 9

Activity (Go SEA)

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