UCSF

ZINC54402034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 14 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) 1.60 3.68 -51.63 2 3 1 37 199.318 3
Hi High (pH 8-9.5) 1.60 2.25 -6.87 1 3 0 32 198.31 3

Activity (Go SEA)

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