UCSF

ZINC37839220

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.21 5.74 -26.32 1 6 0 83 279.321 4
Hi High (pH 8-9.5) 0.25 2.97 -71.93 0 6 -1 86 278.313 4
Hi High (pH 8-9.5) 0.54 4.6 -58.25 1 6 -1 89 278.313 3
Hi High (pH 8-9.5) 0.99 1.83 -132.86 0 6 -2 92 277.305 3

Activity (Go SEA)

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