UCSF

ZINC06136146

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 28 No

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) 1.38 5.45 -62.23 0 7 -1 92 381.408 8
Lo Low (pH 4.5-6) 1.82 -0.92 -61.4 2 7 1 90 383.424 7
Lo Low (pH 4.5-6) 1.38 4.62 -20.09 1 7 0 89 382.416 8

Activity (Go SEA)

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