UCSF

ZINC09020017

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 37 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) 4.33 12.83 -56.61 0 9 -1 125 501.515 10
Lo Low (pH 4.5-6) 4.33 11.87 -17.2 1 9 0 122 502.523 10

Activity (Go SEA)

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