UCSF

ZINC42879067

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) 2.70 4.3 -49.51 3 4 1 55 258.297 4
Hi High (pH 8-9.5) 2.70 2.92 -6.97 2 4 0 51 257.289 4

Activity (Go SEA)

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