UCSF

ZINC19803806

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 20 Yes

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) 1.42 6.62 -65.7 2 5 -1 81 283.392 6
Lo Low (pH 4.5-6) 1.42 5.42 -13.54 3 5 0 78 284.4 6

Activity (Go SEA)

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