UCSF

ZINC17028055

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 28 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) 0.69 2.54 -57.99 2 9 -1 129 378.368 5
Lo Low (pH 4.5-6) 0.23 5.06 -18.45 3 9 0 126 379.376 5

Activity (Go SEA)

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