UCSF

ZINC37792758

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.14 7.51 -51.86 1 6 -1 96 276.268 6
Lo Low (pH 4.5-6) 2.14 5.52 -10.76 2 6 0 93 277.276 6

Activity (Go SEA)

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