UCSF

ZINC43555905

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 18 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) 2.85 6.55 -36.67 1 3 1 30 302.876 6
Hi High (pH 8-9.5) 2.85 4.56 -6.69 0 3 0 29 301.868 6

Activity (Go SEA)

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