UCSF

ZINC08856884

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 34 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) 2.73 4.56 -24.88 4 10 0 149 452.43 4
Ref Reference (pH 7) 2.73 4.71 -19.45 4 10 0 149 452.43 4
Hi High (pH 8-9.5) 3.19 2.82 -58.94 3 10 -1 152 451.422 4
Hi High (pH 8-9.5) 3.19 2.65 -63.55 3 10 -1 152 451.422 4
Hi High (pH 8-9.5) 3.19 2.97 -53.62 3 10 -1 152 451.422 4

Activity (Go SEA)

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