UCSF

ZINC37062007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.41 6.19 -10.04 1 6 0 80 273.292 5
Lo Low (pH 4.5-6) 2.41 6.65 -44.94 2 6 1 81 274.3 5

Activity (Go SEA)

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