UCSF

ZINC09007843

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 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) 3.07 11.31 -79.76 1 9 0 120 453.495 9
Mid Mid (pH 6-8) 2.49 2.1 -55.34 1 9 1 113 454.503 9

Activity (Go SEA)

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