UCSF

ZINC43972316

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.87 9.43 -99.4 3 2 2 21 226.408 6
Hi High (pH 8-9.5) 2.87 9.01 -26.48 2 2 1 16 225.4 6

Activity (Go SEA)

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