UCSF

ZINC55568521

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 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) 1.59 6.51 -14.08 1 5 0 63 299.355 3
Lo Low (pH 4.5-6) 1.59 7 -42.28 2 5 1 65 300.363 3

Activity (Go SEA)

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