UCSF

ZINC05799111

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 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) 2.20 6.89 -66.92 1 6 -1 90 397.838 6
Mid Mid (pH 6-8) 2.65 -1.9 -25.16 2 6 0 86 398.846 5

Activity (Go SEA)

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