UCSF

ZINC05906060

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 2.91 -0.96 -14.49 1 6 0 79 401.846 5
Mid Mid (pH 6-8) 2.33 -1.15 -22.29 0 6 0 76 401.846 5

Activity (Go SEA)

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