UCSF

ZINC43239546

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 1.64 4.66 -44.2 3 2 1 31 257.448 3
Hi High (pH 8-9.5) 1.64 4.33 -2.83 2 2 0 29 256.44 3

Activity (Go SEA)

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