UCSF

ZINC36169060

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.64 7.58 -132.44 4 2 2 32 270.367 4
Hi High (pH 8-9.5) 2.64 7.85 -37.68 3 2 1 30 269.359 4
Hi High (pH 8-9.5) 2.64 5.69 -49.49 3 2 1 31 269.359 4

Activity (Go SEA)

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