UCSF

ZINC42206837

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 0.66 4.07 -105.08 4 5 2 59 261.41 12
Hi High (pH 8-9.5) 0.66 2.72 -37.62 3 5 1 55 260.402 12
Mid Mid (pH 6-8) 0.66 1.92 -43.89 3 5 1 58 260.402 12

Activity (Go SEA)

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