UCSF

ZINC19973597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 28 No

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) -2.82 8.06 -28.92 2 8 1 88 381.46 2
Mid Mid (pH 6-8) -2.82 10.44 -82.23 3 8 2 89 382.468 2

Activity (Go SEA)

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