UCSF

ZINC59090397

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 19 No

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) 5.56 11.05 -114.39 3 2 2 21 272.521 12
Hi High (pH 8-9.5) 5.56 10.2 -30.41 2 2 1 16 271.513 12
Mid Mid (pH 6-8) 5.56 9.19 -36.36 2 2 1 20 271.513 12

Activity (Go SEA)

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