UCSF

ZINC39912644

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 39 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) 5.33 11.87 -12.34 2 7 0 91 516.601 7
Hi High (pH 8-9.5) 5.10 13.08 -47.89 0 7 -1 90 515.593 7
Hi High (pH 8-9.5) 5.10 12.59 -57.58 0 7 -1 90 515.593 7
Hi High (pH 8-9.5) 5.33 12.85 -40.71 1 7 -1 94 515.593 7

Activity (Go SEA)

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