UCSF

ZINC37142257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 0.92 6.07 -41.65 2 5 1 46 298.451 5
Lo Low (pH 4.5-6) 0.92 7.07 -120.94 3 5 2 51 299.459 5
Lo Low (pH 4.5-6) 0.92 4.88 -51.41 2 5 1 49 298.451 5

Activity (Go SEA)

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