UCSF

ZINC43256357

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 12 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) 1.57 1.32 -43.49 4 2 1 48 206.718 3
Hi High (pH 8-9.5) 1.57 1.02 -2.42 3 2 0 46 205.71 3

Activity (Go SEA)

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