UCSF

ZINC09072223

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 33 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) 1.64 5.56 -63.95 0 8 -1 95 470.571 8
Mid Mid (pH 6-8) 2.09 4.65 -48.79 2 8 1 93 472.587 7
Mid Mid (pH 6-8) 1.64 7.9 -86.35 1 8 0 96 471.579 8

Activity (Go SEA)

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