UCSF

ZINC36168161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 2.86 7.33 -42.68 2 4 1 38 285.367 5
Hi High (pH 8-9.5) 2.86 5.97 -8.28 1 4 0 34 284.359 5

Activity (Go SEA)

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