UCSF

ZINC54552205

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 20 Yes

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) 1.90 8.85 -36.97 1 5 0 67 278.352 7
Hi High (pH 8-9.5) 1.90 8.58 -47.67 0 5 -1 65 277.344 7

Activity (Go SEA)

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