UCSF

ZINC43409789

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.04 6.89 -97.5 4 4 2 54 277.412 4
Mid Mid (pH 6-8) 2.04 6.35 -49.53 3 4 1 53 276.404 4

Activity (Go SEA)

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