UCSF

ZINC19976575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.76 2.12 -42.71 2 6 1 57 255.342 2
Hi High (pH 8-9.5) -1.76 1.29 -48.94 2 6 1 60 255.342 2
Hi High (pH 8-9.5) -1.76 -0.13 -12.33 1 6 0 56 254.334 2
Lo Low (pH 4.5-6) -1.76 3.52 -123.74 3 6 2 62 256.35 2

Activity (Go SEA)

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