UCSF

ZINC37803753

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.82 1.45 -55.47 4 6 1 94 267.334 3
Hi High (pH 8-9.5) -0.36 -1.32 -71.77 3 6 0 97 266.326 3
Hi High (pH 8-9.5) -0.36 -1.64 -61.84 2 6 -1 95 265.318 3

Activity (Go SEA)

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