UCSF

ZINC16448999

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 22 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) 4.75 5.02 -8.03 2 4 0 65 314.341 2
Hi High (pH 8-9.5) 4.75 5.79 -39.86 1 4 -1 68 313.333 2
Hi High (pH 8-9.5) 4.26 5.61 -96 0 4 -2 67 312.325 3
Hi High (pH 8-9.5) 4.75 6.22 -39.38 1 4 -1 68 313.333 2

Activity (Go SEA)

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