UCSF

ZINC37128811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 6.65 11.66 -34.5 2 1 1 17 294.528 9
Hi High (pH 8-9.5) 6.65 10.58 -0.79 1 1 0 12 293.52 9

Activity (Go SEA)

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