UCSF

ZINC38195454

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 25 Yes

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) 4.51 11.14 -40.38 2 4 1 52 356.877 5
Hi High (pH 8-9.5) 4.51 9.91 -10.51 1 4 0 47 355.869 5

Activity (Go SEA)

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