UCSF

ZINC42209363

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 25 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) 3.90 11.41 -53.98 2 3 1 37 335.471 5
Hi High (pH 8-9.5) 3.90 10.2 -10.65 1 3 0 32 334.463 5

Activity (Go SEA)

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