UCSF

ZINC19422168

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) -0.28 0.57 -40.28 4 4 1 66 189.279 5
Hi High (pH 8-9.5) -0.28 -0.25 -4.94 3 4 0 64 188.271 5

Activity (Go SEA)

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