UCSF

ZINC42060359

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

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) -1.22 0.81 -21.71 3 9 0 118 320.353 5
Hi High (pH 8-9.5) -1.03 -1.85 -54 2 9 -1 124 319.345 5

Activity (Go SEA)

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