UCSF

ZINC28462854

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 24 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) 3.83 5.6 -9.91 2 5 0 67 342.782 2
Hi High (pH 8-9.5) 3.83 6.32 -53.07 1 5 -1 70 341.774 2

Activity (Go SEA)

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