UCSF

ZINC36949162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 0.25 3.36 -97.11 4 3 2 41 186.299 5
Hi High (pH 8-9.5) 0.25 3.86 -37.34 3 3 1 44 185.291 5
Hi High (pH 8-9.5) 0.25 2.07 -33.13 3 3 1 37 185.291 5

Activity (Go SEA)

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