UCSF

ZINC19819074

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 33 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) 1.92 7.04 -61.91 2 8 1 91 471.603 7
Mid Mid (pH 6-8) 1.92 4.73 -26.54 1 8 0 90 470.595 7

Activity (Go SEA)

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