UCSF

ZINC21662858

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 35 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) 3.54 10.61 -19.82 1 6 0 66 464.569 5
Mid Mid (pH 6-8) 3.54 12.88 -62.94 2 6 1 67 465.577 5

Activity (Go SEA)

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