UCSF

ZINC29548527

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 32 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 0.13 -64.32 5 11 -1 190 445.356 4
Hi High (pH 8-9.5) 0.55 0.72 -124.05 4 11 -2 193 444.348 4

Activity (Go SEA)

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