UCSF

ZINC09477351

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 4.71 11.86 -62.29 0 6 -1 79 470.545 10
Mid Mid (pH 6-8) 5.16 10.8 -29.9 1 6 0 76 471.553 9
Mid Mid (pH 6-8) 4.13 11.82 -22.71 0 6 0 73 471.553 10

Activity (Go SEA)

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