UCSF

ZINC42750047

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 2.97 6.29 -8.66 1 3 0 42 266.142 1
Hi High (pH 8-9.5) 2.97 5.71 -37.99 0 3 -1 40 265.134 1

Activity (Go SEA)

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