UCSF

ZINC04691278

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 28 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) 2.65 7.92 -17.79 2 5 0 71 389.48 5
Hi High (pH 8-9.5) 2.65 7.66 -42.97 1 5 -1 73 388.472 5
Lo Low (pH 4.5-6) 2.65 8.84 -43.85 3 5 1 72 390.488 5

Activity (Go SEA)

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