UCSF

ZINC36115488

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 1.27 1.08 -4.19 1 5 0 49 296.411 7
Mid Mid (pH 6-8) 1.27 5.06 -36.41 2 5 1 50 297.419 7
Lo Low (pH 4.5-6) 1.27 5.43 -40.92 2 5 1 50 297.419 7
Lo Low (pH 4.5-6) 1.27 7.34 -118.05 3 5 2 51 298.427 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.