UCSF

ZINC26378144

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 18 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) 1.78 3.37 -119.14 0 6 -2 102 245.19 3
Lo Low (pH 4.5-6) 1.78 3.85 -58.98 1 6 -1 104 246.198 3

Activity (Go SEA)

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