UCSF

ZINC35449601

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 27 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) 0.47 7.25 -20.84 1 8 0 89 367.409 5
Lo Low (pH 4.5-6) 0.47 8.03 -34.25 2 8 0 90 368.417 5

Activity (Go SEA)

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