UCSF

ZINC41504259

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) 3.72 8.2 -10.25 2 5 0 67 326.787 4
Lo Low (pH 4.5-6) 3.72 8.66 -34.85 3 5 1 68 327.795 4

Activity (Go SEA)

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