UCSF

ZINC40787696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.29 10.53 -44.32 1 5 1 43 352.458 4
Mid Mid (pH 6-8) 3.29 8.32 -9.74 0 5 0 42 351.45 4

Activity (Go SEA)

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