UCSF

ZINC52254249

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 19 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) 1.34 2.14 -8.84 2 5 0 76 276.235 6
Hi High (pH 8-9.5) 1.34 2.65 -47.26 1 5 -1 79 275.227 6

Activity (Go SEA)

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