UCSF

ZINC21531252

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 33 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) 3.06 5.25 -20.55 2 8 0 87 469.611 6
Mid Mid (pH 6-8) 3.06 7.58 -58.02 3 8 1 88 470.619 6

Activity (Go SEA)

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