UCSF

ZINC49282754

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 2.06 4.61 -42.86 2 4 1 51 305.37 4
Hi High (pH 8-9.5) 2.06 2.15 -10.91 1 4 0 49 304.362 4
Mid Mid (pH 6-8) 2.06 4.52 -41.29 1 4 0 53 304.362 4

Activity (Go SEA)

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