UCSF

ZINC37831559

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) 2.79 9.24 -64.66 0 5 -1 70 298.403 8
Lo Low (pH 4.5-6) 2.79 7.66 -10.27 1 5 0 67 299.411 8

Activity (Go SEA)

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