UCSF

ZINC13424026

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 25 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) 2.48 5.86 -16.08 0 6 0 61 362.451 4
Lo Low (pH 4.5-6) 2.48 6.8 -33.92 1 6 1 62 363.459 4

Activity (Go SEA)

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