UCSF

ZINC37803405

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.00 6.19 -48.29 3 4 1 61 276.404 9
Lo Low (pH 4.5-6) 1.00 6.65 -83.58 4 4 2 62 277.412 9

Activity (Go SEA)

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