UCSF

ZINC35687243

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 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) 2.41 7.77 -43.11 1 4 0 48 317.216 5
Hi High (pH 8-9.5) 2.41 5.5 -44.92 0 4 -1 47 316.208 5

Activity (Go SEA)

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