UCSF

ZINC00451172

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.37 -1.83 -5.99 2 4 0 68 330.602 3
Lo Low (pH 4.5-6) 3.37 -1.73 -27.29 3 4 1 70 331.61 3
Lo Low (pH 4.5-6) 3.37 -1.65 -28.82 3 4 1 70 331.61 3

Activity (Go SEA)

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