UCSF

ZINC60075941

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 24 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) 3.14 6.85 -15.64 2 5 0 75 327.428 2
Hi High (pH 8-9.5) 4.05 4.99 -58.73 1 5 -1 78 326.42 2

Activity (Go SEA)

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