UCSF

ZINC37015745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.67 0.55 -46.09 5 6 1 110 220.208 1
Mid Mid (pH 6-8) -0.67 0.15 -13.04 4 6 0 108 219.2 1

Activity (Go SEA)

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