UCSF

ZINC20057955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 35 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) 3.37 8.53 -55.14 0 8 -1 99 497.955 9
Mid Mid (pH 6-8) 3.37 10.85 -69.38 1 8 0 100 498.963 9
Lo Low (pH 4.5-6) 3.37 10.02 -53.26 2 8 1 98 499.971 9

Activity (Go SEA)

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