UCSF

ZINC42945443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.72 6.42 -124.54 4 3 2 41 298.858 5
Hi High (pH 8-9.5) 2.72 3.96 -46.4 3 3 1 40 297.85 5
Mid Mid (pH 6-8) 2.72 6.11 -36.19 3 3 1 40 297.85 5

Activity (Go SEA)

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