UCSF

ZINC20057143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 35 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) 5.47 13.68 -67.08 1 6 0 74 478.633 11
Hi High (pH 8-9.5) 5.47 11.47 -59.12 0 6 -1 73 477.625 11
Lo Low (pH 4.5-6) 5.47 12.86 -45.48 2 6 1 71 479.641 11

Activity (Go SEA)

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