UCSF

ZINC35746944

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 26 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) 3.68 8.69 -53.42 3 5 1 70 378.562 10
Hi High (pH 8-9.5) 4.14 6.1 -46.4 2 5 0 74 377.554 10

Activity (Go SEA)

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