UCSF

ZINC09545112

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 36 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) 6.57 -0.74 -17.99 0 5 0 58 506.656 5
Lo Low (pH 4.5-6) 6.57 -0.41 -39.32 1 5 1 60 507.664 5

Activity (Go SEA)

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