UCSF

ZINC20600970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 28 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) 2.63 8.33 -44.53 1 6 1 46 410.966 7
Hi High (pH 8-9.5) 2.63 6.24 -10.63 0 6 0 45 409.958 7

Activity (Go SEA)

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