UCSF

ZINC16977490

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 29 No

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) 2.94 7.91 -40.67 0 7 -1 86 431.877 5
Lo Low (pH 4.5-6) 2.48 8.99 -11.46 1 7 0 83 432.885 5

Activity (Go SEA)

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