UCSF

ZINC25407571

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 32 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) 3.22 3.96 -18.06 2 8 0 97 469.648 10
Mid Mid (pH 6-8) 3.22 5.78 -56.23 3 8 1 98 470.656 10

Activity (Go SEA)

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