UCSF

ZINC42435907

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 17 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) 2.37 6.61 -39.63 2 2 1 20 233.379 4
Hi High (pH 8-9.5) 2.37 7.32 -36.43 2 2 1 16 233.379 4

Activity (Go SEA)

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