UCSF

ZINC39911523

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.81 6.44 -19.07 3 8 0 108 465.55 9
Hi High (pH 8-9.5) 3.58 7 -49.7 1 8 -1 107 464.542 9
Hi High (pH 8-9.5) 3.58 6.72 -62.44 1 8 -1 107 464.542 9
Hi High (pH 8-9.5) 3.81 7.58 -44.5 2 8 -1 111 464.542 9

Activity (Go SEA)

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