UCSF

ZINC26376839

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 13 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) 0.80 6.35 -40.59 0 3 -1 57 181.211 2
Lo Low (pH 4.5-6) 0.80 3.48 -11.14 1 3 0 54 182.219 2

Activity (Go SEA)

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