UCSF

ZINC37818666

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 2.10 5.57 -41.44 2 5 1 63 255.338 4
Hi High (pH 8-9.5) 2.10 4.45 -12.92 1 5 0 59 254.33 4

Activity (Go SEA)

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