UCSF

ZINC53161289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 3.17 6.32 -52.51 3 4 -1 78 275.715 4
Mid Mid (pH 6-8) 3.17 6.18 -66.65 4 4 0 80 276.723 4

Activity (Go SEA)

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