UCSF

ZINC20134682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.37 11.52 -76 1 8 0 96 478.545 10
Hi High (pH 8-9.5) 3.37 9.3 -60.35 0 8 -1 95 477.537 10
Lo Low (pH 4.5-6) 3.37 10.57 -54.58 2 8 1 94 479.553 10

Activity (Go SEA)

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