UCSF

ZINC39553742

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 33 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) 3.82 10.17 -20.5 1 8 0 91 463.563 5
Hi High (pH 8-9.5) 3.89 8.6 -60.94 0 8 -1 97 462.555 5

Activity (Go SEA)

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