UCSF

ZINC09019855

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 34 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) 4.39 11.41 -44.71 0 6 -1 79 456.518 9
Mid Mid (pH 6-8) 3.81 12.06 -17.62 0 6 0 73 457.526 9
Mid Mid (pH 6-8) 4.84 11.48 -16.77 1 6 0 76 457.526 8

Activity (Go SEA)

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