UCSF

ZINC36207728

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 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) 3.68 9 -55.58 3 7 1 89 458.604 12
Hi High (pH 8-9.5) 4.14 6.58 -42.77 2 7 0 92 457.596 12

Activity (Go SEA)

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