UCSF

ZINC42413603

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 3.62 9.65 -16.56 0 2 0 34 259.132 5
Hi High (pH 8-9.5) 4.37 8.56 -46.92 0 2 -1 40 258.124 4

Activity (Go SEA)

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