UCSF

ZINC43458043

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 0.99 4.38 -114.63 4 4 2 45 265.401 6
Mid Mid (pH 6-8) 0.99 3.98 -32.51 3 4 1 43 264.393 6
Mid Mid (pH 6-8) 0.99 2.31 -44.48 3 4 1 43 264.393 6

Activity (Go SEA)

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