UCSF

ZINC71150679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 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) 0.61 3.43 -79.44 3 4 2 28 256.438 6
Mid Mid (pH 6-8) 0.61 3.54 -90.58 3 4 2 28 256.438 6
Mid Mid (pH 6-8) 0.61 5.77 -176.48 4 4 3 29 257.446 6

Activity (Go SEA)

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