UCSF

ZINC17016695

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 23 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) 3.21 6.02 -56.64 1 4 -1 69 326.759 3
Mid Mid (pH 6-8) 2.63 5.86 -9.87 1 4 0 63 327.767 3
Mid Mid (pH 6-8) 3.21 5.52 -11.4 2 4 0 66 327.767 3

Activity (Go SEA)

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