UCSF

ZINC37792502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.42 7.36 -60.52 1 5 -1 78 298.403 8
Lo Low (pH 4.5-6) 2.42 5.62 -12.8 2 5 0 76 299.411 8

Activity (Go SEA)

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