UCSF

ZINC04167170

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 19 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) -0.14 1.87 -36.7 2 6 -1 110 263.273 3
Mid Mid (pH 6-8) -0.81 1.81 -16.84 3 6 0 106 264.281 2

Activity (Go SEA)

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