UCSF

ZINC35268718

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 29 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) 3.50 8.69 -31.08 1 7 0 92 428.539 5
Hi High (pH 8-9.5) 3.69 6.66 -66.75 0 7 -1 99 427.531 5

Activity (Go SEA)

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