UCSF

ZINC36198574

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 0.45 8.32 -70.98 0 6 -1 81 297.375 6
Lo Low (pH 4.5-6) 0.45 6.33 -18.91 1 6 0 78 298.383 6

Activity (Go SEA)

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