UCSF

ZINC10065938

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 34 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) 4.98 12.37 -50.91 1 7 1 73 474.562 7
Hi High (pH 8-9.5) 4.98 10 -11.64 0 7 0 72 473.554 7

Activity (Go SEA)

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