UCSF

ZINC15009406

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 23 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) 4.19 4.93 -10.62 2 5 0 75 326.377 3
Ref Reference (pH 7) 4.19 5.36 -10.28 2 5 0 75 326.377 3
Ref Reference (pH 7) 3.69 4.83 -45.07 1 5 -1 74 325.369 4
Hi High (pH 8-9.5) 3.70 5.86 -105.68 0 5 -2 76 324.361 4
Hi High (pH 8-9.5) 4.19 5.85 -45.63 1 5 -1 78 325.369 3
Hi High (pH 8-9.5) 4.19 6.27 -44.87 1 5 -1 78 325.369 3

Activity (Go SEA)

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