UCSF

ZINC59178659

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 20 No

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) 4.90 9.11 -47.25 2 3 1 35 300.85 10
Hi High (pH 8-9.5) 4.90 7.67 -4.94 1 3 0 30 299.842 10

Activity (Go SEA)

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