UCSF

ZINC19782342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 34 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) 4.89 6.52 -9.22 2 6 0 65 470.654 12
Mid Mid (pH 6-8) 4.89 8.88 -44.44 3 6 1 67 471.662 12

Activity (Go SEA)

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