UCSF

ZINC28571916

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 24 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) 4.83 9.56 -56.97 1 4 -1 61 318.352 6
Lo Low (pH 4.5-6) 4.83 8.45 -11.92 2 4 0 59 319.36 6

Activity (Go SEA)

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