UCSF

ZINC26471018

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 20 No

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) 2.21 3.32 -12.47 0 5 0 64 334.228 3
Lo Low (pH 4.5-6) 2.21 5.62 -56.88 1 5 1 66 335.236 3

Activity (Go SEA)

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