UCSF

ZINC47386845

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2010 27 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) 3.41 9.4 -12.92 0 5 0 42 374.525 6
Mid Mid (pH 6-8) 3.41 11.41 -50.01 1 5 1 43 375.533 6

Activity (Go SEA)

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