UCSF

ZINC03870265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 10 No

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) -0.04 3.04 -50.63 1 4 -1 69 137.118 2
Mid Mid (pH 6-8) -0.04 3.52 -68.25 2 4 0 70 138.126 2

Activity (Go SEA)

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