UCSF

ZINC43448342

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) -0.75 0.62 -41.48 3 4 1 57 189.279 6
Hi High (pH 8-9.5) -0.75 -0.62 -10.86 2 4 0 53 188.271 6

Activity (Go SEA)

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