UCSF

ZINC38144571

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 43 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) -0.55 -8.42 -22.04 8 15 0 234 610.565 7
Hi High (pH 8-9.5) -0.55 -7.43 -72.11 7 15 -1 237 609.557 7

Activity (Go SEA)

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