UCSF

ZINC44626231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 3.01 4.41 -45.44 2 4 1 56 272.25 4
Hi High (pH 8-9.5) 3.01 2.92 -4.34 1 4 0 51 271.242 4

Activity (Go SEA)

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