UCSF

ZINC42451451

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 -1.67 -11.74 1 5 0 67 263.359 2
Lo Low (pH 4.5-6) 0.02 0.67 -46.86 2 5 1 68 264.367 2

Activity (Go SEA)

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