UCSF

ZINC36829220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) 0.27 2.39 -50.41 2 6 1 75 286.377 3
Hi High (pH 8-9.5) 0.72 0.33 -71.89 1 6 0 78 285.369 3

Activity (Go SEA)

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