UCSF

ZINC42189099

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 2.05 0.56 -13.53 4 5 0 90 285.299 2
Hi High (pH 8-9.5) 2.05 1.56 -62.68 3 5 -1 93 284.291 2

Activity (Go SEA)

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