UCSF

ZINC21937562

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 27 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) -0.30 6.95 -21.82 1 8 0 85 364.409 5
Lo Low (pH 4.5-6) -0.30 7.39 -56.32 2 8 1 86 365.417 5

Activity (Go SEA)

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