UCSF

ZINC34560024

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 8 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) -0.41 -1.1 -37.1 4 2 1 48 116.184 2
Hi High (pH 8-9.5) -0.41 -1.49 -3.2 3 2 0 46 115.176 2

Activity (Go SEA)

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