UCSF

ZINC08426572

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 28 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) 3.92 9.63 -40.08 0 5 -1 70 419.284 7
Mid Mid (pH 6-8) 4.36 -0.58 -24.35 1 5 0 66 420.292 6
Mid Mid (pH 6-8) 3.33 -0.37 -15.46 0 5 0 63 420.292 7

Activity (Go SEA)

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