UCSF

ZINC19942120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 0.34 0.86 -49.72 3 5 1 58 234.279 1
Hi High (pH 8-9.5) 0.34 -0.56 -8.65 2 5 0 54 233.271 1

Activity (Go SEA)

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