UCSF

ZINC37871554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.77 5.66 -11.6 2 4 0 54 283.375 6
Mid Mid (pH 6-8) 1.77 6.13 -41.24 3 4 1 55 284.383 6

Activity (Go SEA)

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