UCSF

ZINC37824022

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) 0.32 5.21 -84.14 3 5 2 45 298.475 5
Lo Low (pH 4.5-6) 0.32 7.51 -160.43 4 5 3 46 299.483 5
Lo Low (pH 4.5-6) 0.32 5.12 -87.32 3 5 2 45 298.475 5

Activity (Go SEA)

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