UCSF

ZINC09356655

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 30 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) 3.94 8.59 -63.37 0 6 -1 79 473.343 8
Mid Mid (pH 6-8) 4.39 8.3 -14.98 1 6 0 76 474.351 7
Mid Mid (pH 6-8) 3.36 -0.71 -13.24 0 6 0 72 474.351 8

Activity (Go SEA)

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