UCSF

ZINC43638696

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 16 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) 1.94 7.32 -31.32 1 4 1 44 226.296 7
Hi High (pH 8-9.5) 1.94 5.33 -6.62 0 4 0 43 225.288 7

Activity (Go SEA)

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