UCSF

ZINC04884343

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 23 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) 2.94 -4.25 -16.39 1 5 0 66 395.278 3
Hi High (pH 8-9.5) 2.94 -3.67 -47.05 0 5 -1 68 394.27 3

Activity (Go SEA)

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