UCSF

ZINC37792055

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) 3.83 9.29 -52.07 1 4 -1 69 274.34 7
Lo Low (pH 4.5-6) 3.83 7.34 -14.16 2 4 0 66 275.348 7

Activity (Go SEA)

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