UCSF

ZINC51380635

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 25 No

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) 0.51 1.28 -18.86 1 7 0 65 346.431 5
Mid Mid (pH 6-8) 0.51 5.7 -121.62 3 7 2 68 348.447 5
Mid Mid (pH 6-8) 0.51 3.48 -56.49 2 7 1 66 347.439 5
Mid Mid (pH 6-8) 0.51 3.5 -60.29 2 7 1 66 347.439 5

Activity (Go SEA)

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