UCSF

ZINC09271346

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 31 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) 2.84 7.31 -63.28 0 6 -1 73 423.464 6
Mid Mid (pH 6-8) 3.29 0.44 -45.87 2 6 1 71 425.48 5
Mid Mid (pH 6-8) 2.84 9.66 -72.79 1 6 0 74 424.472 6

Activity (Go SEA)

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