UCSF

ZINC17354817

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2008 31 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) 2.74 3.17 -61.22 2 10 -1 168 438.397 4
Hi High (pH 8-9.5) 1.56 7.15 -95.19 1 10 -2 168 437.389 4
Hi High (pH 8-9.5) 2.74 3.93 -121.97 1 10 -2 171 437.389 4

Activity (Go SEA)

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