UCSF

ZINC19513160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 13 No

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) 0.78 2.9 -37.96 4 4 1 63 186.279 3
Hi High (pH 8-9.5) 0.78 0.66 -4.88 3 4 0 62 185.271 3
Hi High (pH 8-9.5) 0.78 0.34 -5.67 3 4 0 62 185.271 3

Activity (Go SEA)

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