UCSF

ZINC41728247

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 2.15 8.71 -43.32 3 2 1 33 315.746 2
Hi High (pH 8-9.5) 2.15 8.39 -4.72 2 2 0 31 314.738 2

Activity (Go SEA)

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