UCSF

ZINC42468108

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 11 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) -0.07 0.45 -35.84 2 3 1 37 158.221 2
Hi High (pH 8-9.5) -0.07 -1.8 -5.11 1 3 0 36 157.213 2

Activity (Go SEA)

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