UCSF

ZINC09159973

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 36 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) -1.05 11.48 -36.74 3 9 1 116 481.536 7
Lo Low (pH 4.5-6) -1.05 11.91 -93 4 9 2 117 482.544 7

Activity (Go SEA)

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