UCSF

ZINC34548628

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) 3.50 5.15 -13.19 2 3 0 64 271.703 2
Hi High (pH 8-9.5) 3.50 6.06 -46.89 1 3 -1 67 270.695 2

Activity (Go SEA)

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