UCSF

ZINC42947061

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.98 2.24 -50.25 5 4 1 74 298.838 8
Mid Mid (pH 6-8) 1.98 3.92 -123.41 6 4 2 75 299.846 8

Activity (Go SEA)

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