UCSF

ZINC36691629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 28 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) 4.39 9.91 -12.97 1 7 0 90 399.52 9
Hi High (pH 8-9.5) 4.46 8.85 -47.93 0 7 -1 96 398.512 9

Activity (Go SEA)

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