UCSF

ZINC41671109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) 0.07 4.14 -60.36 3 3 1 48 205.281 4
Hi High (pH 8-9.5) 0.07 3.75 -7.48 2 3 0 46 204.273 4

Activity (Go SEA)

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