UCSF

ZINC42451449

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.02 -2.05 -12.45 1 5 0 67 263.359 2
Lo Low (pH 4.5-6) 0.02 -0.16 -46.35 2 5 1 68 264.367 2

Activity (Go SEA)

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