UCSF

ZINC43907816

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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 6.54 -33.55 2 3 1 20 280.48 4
Mid Mid (pH 6-8) 2.71 8.94 -102.09 3 3 2 21 281.488 4
Mid Mid (pH 6-8) 2.71 7.79 -84.75 3 3 2 24 281.488 4

Activity (Go SEA)

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