UCSF

ZINC78987213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2012 17 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) -0.34 -1.07 -50.02 5 6 1 88 245.347 7
Mid Mid (pH 6-8) -0.34 -2.42 -6.45 4 6 0 83 244.339 7
Mid Mid (pH 6-8) -0.34 -0.14 -40.52 5 6 1 84 245.347 7
Mid Mid (pH 6-8) -0.34 1.21 -116.98 6 6 2 89 246.355 7

Activity (Go SEA)

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