UCSF

ZINC13127514

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 4.02 7.61 -11.37 2 5 0 71 317.348 4
Lo Low (pH 4.5-6) 4.02 7.95 -26.29 3 5 1 72 318.356 4

Activity (Go SEA)

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