UCSF

ZINC19442104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 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) 2.16 5.77 -16.85 2 3 0 42 275.402 2
Mid Mid (pH 6-8) 2.16 6.01 -53.64 3 3 1 43 276.41 2

Activity (Go SEA)

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