UCSF

ZINC49454323

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 22 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) 3.70 8.29 -5.21 2 2 0 28 294.373 1
Mid Mid (pH 6-8) 3.70 9.62 -45.87 3 2 1 32 295.381 1

Activity (Go SEA)

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