UCSF

ZINC45688218

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.56 3.26 -32.54 2 5 1 38 300.467 7
Hi High (pH 8-9.5) 1.56 2.84 -37.82 2 5 1 42 300.467 7
Hi High (pH 8-9.5) 1.56 1.54 -2.72 1 5 0 37 299.459 7
Hi High (pH 8-9.5) 1.56 4.02 -37.33 2 5 1 38 300.467 7
Mid Mid (pH 6-8) 1.56 5.75 -110.38 3 5 2 39 301.475 7
Lo Low (pH 4.5-6) 1.56 6.98 -213.41 4 5 3 44 302.483 7

Activity (Go SEA)

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