UCSF

ZINC60247865

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 18 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) -0.26 3.1 -21.47 2 6 0 84 250.233 2
Hi High (pH 8-9.5) 0.20 1.01 -57.67 1 6 -1 87 249.225 2

Activity (Go SEA)

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