UCSF

ZINC08827797

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 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) 3.06 6.56 -53.87 1 8 -1 116 439.831 5
Mid Mid (pH 6-8) 2.48 -0.48 -26.25 1 8 0 109 440.839 5

Activity (Go SEA)

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