UCSF

ZINC00638562

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 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) 2.38 -3.67 -16.12 2 8 0 93 359.43 5
Lo Low (pH 4.5-6) 2.38 -3.49 -45.39 3 8 1 95 360.438 5
Lo Low (pH 4.5-6) 2.38 -3.46 -35.94 3 8 1 95 360.438 5

Activity (Go SEA)

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