UCSF

ZINC16663071

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 21 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) 5.37 8.85 -7.35 1 3 0 45 314.435 2
Ref Reference (pH 7) 4.88 8.36 -40.71 0 3 -1 44 313.427 3
Hi High (pH 8-9.5) 5.82 7.34 -42.76 0 3 -1 48 313.427 2
Hi High (pH 8-9.5) 5.82 6.68 -43.75 0 3 -1 48 313.427 2

Activity (Go SEA)

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