UCSF

ZINC42457136

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 2.17 5.51 -33.36 3 3 1 43 214.358 5
Hi High (pH 8-9.5) 2.17 3.13 -4.57 2 3 0 42 213.35 5

Activity (Go SEA)

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