UCSF

ZINC19685897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 20 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) 0.48 2.46 -51.41 1 7 -1 106 300.36 4
Lo Low (pH 4.5-6) 0.48 1.33 -15.86 2 7 0 103 301.368 4

Activity (Go SEA)

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