UCSF

ZINC19803801

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) 1.13 6.37 -65.92 2 5 -1 81 283.392 5
Lo Low (pH 4.5-6) 1.13 5.15 -13.4 3 5 0 78 284.4 5

Activity (Go SEA)

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