UCSF

ZINC43389276

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.16 9.49 -57.41 2 4 1 47 305.764 4
Hi High (pH 8-9.5) 3.16 8.32 -16.92 1 4 0 42 304.756 4

Activity (Go SEA)

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