UCSF

ZINC43417278

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) -0.04 0.45 -49.62 4 5 1 69 260.402 10
Mid Mid (pH 6-8) -0.04 1.86 -33.83 4 5 1 69 260.402 10

Activity (Go SEA)

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