UCSF

ZINC21944353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 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) 2.47 11.63 -29.57 1 8 0 91 459.55 8
Lo Low (pH 4.5-6) 2.47 11.75 -51.47 2 8 1 92 460.558 8

Activity (Go SEA)

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