UCSF

ZINC09427235

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 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) 4.78 0.65 -13.61 1 10 0 124 515.979 10
Mid Mid (pH 6-8) 3.45 8.07 -22.91 2 7 0 93 442.566 10

Activity (Go SEA)

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