UCSF

ZINC37403740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 4.06 10.11 -38.51 1 4 1 50 271.768 7
Hi High (pH 8-9.5) 4.06 8.26 -3.79 0 4 0 49 270.76 7

Activity (Go SEA)

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