UCSF

ZINC23634363

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 24 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) 1.95 4.11 -21.25 1 9 0 113 349.372 5
Hi High (pH 8-9.5) 1.77 3.04 -38.67 0 9 -1 120 348.364 5

Activity (Go SEA)

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