UCSF

ZINC59167899

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 18 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) 4.12 6.02 -40.27 3 3 1 46 252.378 9
Hi High (pH 8-9.5) 4.12 5.6 -4.19 2 3 0 44 251.37 9

Activity (Go SEA)

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