UCSF

ZINC19440810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 13 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) -0.86 -0.28 -44.56 3 4 1 51 186.279 2
Hi High (pH 8-9.5) -0.86 -0.61 -8.71 2 4 0 50 185.271 2

Activity (Go SEA)

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