UCSF

ZINC37834309

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.66 4.54 -68.87 1 7 -1 99 299.347 7
Lo Low (pH 4.5-6) 0.66 2.5 -18.9 2 7 0 96 300.355 7

Activity (Go SEA)

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