UCSF

ZINC43910163

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 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) 2.53 6.02 -38.54 2 2 1 20 221.368 6
Hi High (pH 8-9.5) 2.53 7.13 -32.85 2 2 1 16 221.368 6

Activity (Go SEA)

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