UCSF

ZINC42432720

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.15 1.52 -38.04 5 5 1 79 247.322 3
Hi High (pH 8-9.5) 0.15 -0.55 -11.38 4 5 0 78 246.314 3

Activity (Go SEA)

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