UCSF

ZINC43560094

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 20 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) 2.71 4.56 -4.5 1 3 0 33 275.392 3
Mid Mid (pH 6-8) 2.71 6.85 -35.91 2 3 1 34 276.4 3

Activity (Go SEA)

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