UCSF

ZINC04258512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 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) 4.37 9.45 -46.41 2 6 1 70 343.366 3
Hi High (pH 8-9.5) 4.37 8.99 -12.72 1 6 0 69 342.358 3
Lo Low (pH 4.5-6) 4.37 9.8 -82.89 3 6 2 72 344.374 3

Activity (Go SEA)

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