UCSF

ZINC59458521

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 20 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) -1.23 0.37 -109.86 7 7 2 125 284.36 4
Hi High (pH 8-9.5) -1.23 -0.89 -27.19 5 7 0 119 282.344 4
Mid Mid (pH 6-8) -1.23 0.12 -53.83 6 7 1 123 283.352 4
Mid Mid (pH 6-8) -1.23 -0.98 -64.45 6 7 1 120 283.352 4

Activity (Go SEA)

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