UCSF

ZINC37792614

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.11 1.6 -50.79 2 7 -1 115 285.301 6
Hi High (pH 8-9.5) 0.11 1.66 -92.54 1 7 -2 117 284.293 6
Lo Low (pH 4.5-6) 0.11 -0.38 -16.15 3 7 0 113 286.309 6

Activity (Go SEA)

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