UCSF

ZINC22591065

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 20 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) -3.33 -4.27 -246.53 12 6 4 117 292.516 15
Mid Mid (pH 6-8) -3.33 -2.15 -377.92 13 6 5 118 293.524 15
Lo Low (pH 4.5-6) -3.33 -0.05 -556.79 14 6 6 119 294.532 15

Activity (Go SEA)

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