UCSF

ZINC39750407

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 Yes

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) 2.71 9.7 -28.14 2 10 0 124 501.638 12
Hi High (pH 8-9.5) 2.90 8.16 -60.65 1 10 -1 130 500.63 12

Activity (Go SEA)

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