UCSF

ZINC18254969

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 2.87 5.88 -19.62 2 5 0 74 293.326 3
Hi High (pH 8-9.5) 3.33 3.99 -58.92 1 5 -1 77 292.318 3
Hi High (pH 8-9.5) 3.33 4.26 -46.09 1 5 -1 77 292.318 3

Activity (Go SEA)

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