UCSF

ZINC39224687

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 0.42 -1.06 -39.5 4 2 1 48 116.184 0
Hi High (pH 8-9.5) 0.42 -1.31 -2.8 3 2 0 46 115.176 0

Activity (Go SEA)

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