UCSF

ZINC42582886

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 4.69 10.58 -38.9 1 2 1 28 263.449 6
Hi High (pH 8-9.5) 4.69 8.96 -6.77 0 2 0 27 262.441 6

Activity (Go SEA)

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