UCSF

ZINC37987927

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) 1.63 0.71 -43.74 2 6 -1 104 324.769 4
Lo Low (pH 4.5-6) 1.63 0.28 -17.03 3 6 0 102 325.777 4

Activity (Go SEA)

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