UCSF

ZINC43479444

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 3.36 5.65 -44.43 3 4 1 63 286.779 7
Hi High (pH 8-9.5) 3.36 5.34 -46.38 1 4 -1 61 284.763 7
Hi High (pH 8-9.5) 3.36 6.53 -57.92 2 4 0 66 285.771 7
Mid Mid (pH 6-8) 3.36 4.58 -8.82 2 4 0 59 285.771 7

Activity (Go SEA)

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