UCSF

ZINC25993892

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 28 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) 3.09 5.4 -47.62 4 6 1 95 402.854 2
Mid Mid (pH 6-8) 3.09 6.2 -45.86 3 6 0 98 401.846 2

Activity (Go SEA)

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