UCSF

ZINC19771719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 24 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) 2.24 9.23 -69.71 1 5 0 65 350.846 7
Hi High (pH 8-9.5) 2.24 6.92 -55.02 0 5 -1 64 349.838 7
Lo Low (pH 4.5-6) 2.24 8.23 -49.95 2 5 1 62 351.854 7

Activity (Go SEA)

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