UCSF

ZINC13608573

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 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) 2.91 8.51 -12.31 2 5 0 71 379.847 6
Lo Low (pH 4.5-6) 2.91 8.79 -47.37 3 5 1 72 380.855 6

Activity (Go SEA)

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