UCSF

ZINC43353738

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 18 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) 1.59 6.42 -32.99 3 3 1 43 248.394 7
Hi High (pH 8-9.5) 1.59 4.85 -3.51 2 3 0 42 247.386 7
Mid Mid (pH 6-8) 1.59 6.72 -116.82 4 3 2 45 249.402 7
Mid Mid (pH 6-8) 1.59 4.86 -48.93 3 3 1 44 248.394 7

Activity (Go SEA)

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