UCSF

ZINC39134713

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 9 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) 0.27 0.45 -35.85 4 3 1 56 144.223 2
Hi High (pH 8-9.5) 0.27 -0.99 -4.78 3 3 0 51 143.215 2

Activity (Go SEA)

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