UCSF

ZINC20150178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 2.17 9.65 -78.58 1 7 0 87 423.513 10
Lo Low (pH 4.5-6) 2.17 8.82 -56.8 2 7 1 84 424.521 10

Activity (Go SEA)

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