UCSF

ZINC09312269

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 35 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) 4.12 12.86 -56.63 0 8 -1 115 469.473 6
Mid Mid (pH 6-8) 4.57 11.75 -14.57 1 8 0 113 470.481 5

Activity (Go SEA)

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