UCSF

ZINC42915375

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 0.79 4.05 -120.45 5 4 2 61 281.375 4
Hi High (pH 8-9.5) 0.79 3.76 -38.35 4 4 1 60 280.367 4
Mid Mid (pH 6-8) 0.79 2.65 -45.52 4 4 1 60 280.367 4

Activity (Go SEA)

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