UCSF

ZINC20841155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 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) 3.69 7.52 -10.22 1 6 0 63 397.548 5
Lo Low (pH 4.5-6) 3.69 10.24 -84.26 3 6 2 66 399.564 5

Activity (Go SEA)

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