UCSF

ZINC37808725

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.61 7.06 -42.48 3 3 1 48 283.823 6
Mid Mid (pH 6-8) 2.61 6.76 -9.36 2 3 0 46 282.815 6

Activity (Go SEA)

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