UCSF

ZINC37790618

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.34 3.89 -15.91 0 4 0 47 185.223 2
Hi High (pH 8-9.5) -0.33 2.98 -47.91 0 4 -1 53 184.215 2

Activity (Go SEA)

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