UCSF

ZINC45357729

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 24 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) 4.52 10.55 -40.72 2 4 1 36 341.866 2
Mid Mid (pH 6-8) 4.52 8.34 -6.92 1 4 0 35 340.858 2

Activity (Go SEA)

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