UCSF

ZINC05127019

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 28 No

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) 4.35 -1.42 -16.48 1 8 0 110 400.412 7
Hi High (pH 8-9.5) 4.35 -0.91 -46.32 0 8 -1 112 399.404 7

Activity (Go SEA)

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