UCSF

ZINC34925928

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 23 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) 5.32 9.43 -12.89 1 4 0 51 326.783 5
Mid Mid (pH 6-8) 5.32 9.83 -29.33 2 4 1 52 327.791 5

Activity (Go SEA)

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