UCSF

ZINC39756109

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 35 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) 5.57 11.38 -17.06 2 8 0 98 490.585 10
Hi High (pH 8-9.5) 5.57 11.21 -50.73 1 8 -1 97 489.577 10

Activity (Go SEA)

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