UCSF

ZINC52254296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 17 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) 1.50 2.15 -7.27 2 4 0 67 246.209 5
Hi High (pH 8-9.5) 1.50 2.66 -47.78 1 4 -1 70 245.201 5

Activity (Go SEA)

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