UCSF

ZINC42904306

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 Yes

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) 2.12 3.9 -43.24 4 3 1 57 258.341 5
Hi High (pH 8-9.5) 2.12 3.41 -5.64 3 3 0 55 257.333 5

Activity (Go SEA)

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