UCSF

ZINC38611055

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 6.76 13.42 -9.46 2 5 0 71 464.352 4
Hi High (pH 8-9.5) 8.40 13.66 -57.9 1 5 -1 77 463.344 4

Activity (Go SEA)

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