UCSF

ZINC05799112

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 7.34 -62.21 1 6 -1 90 397.838 6
Mid Mid (pH 6-8) 2.65 -1.61 -26.1 2 6 0 86 398.846 5
Mid Mid (pH 6-8) 1.62 -2.29 -17.3 1 6 0 83 398.846 6

Activity (Go SEA)

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