UCSF

ZINC39376005

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 16 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) 1.75 4.44 -50.17 3 3 1 54 224.255 2
Hi High (pH 8-9.5) 1.75 5.45 -77.05 2 3 0 57 223.247 2

Activity (Go SEA)

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