UCSF

ZINC25443330

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 35 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) 3.49 5.92 -15.51 1 8 0 86 479.577 10
Lo Low (pH 4.5-6) 3.49 7.87 -52.54 2 8 1 87 480.585 10

Activity (Go SEA)

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