UCSF

ZINC35368184

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 2.90 7.57 -34.38 2 5 1 62 286.783 6
Hi High (pH 8-9.5) 2.90 6.71 -42.59 2 5 1 66 286.783 6
Hi High (pH 8-9.5) 2.90 5.63 -4.26 1 5 0 61 285.775 6

Activity (Go SEA)

Rings

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