UCSF

ZINC05583164

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 26 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) 4.33 4.65 -46.72 1 6 -1 83 389.84 5
Ref Reference (pH 7) 4.82 5.22 -11.89 2 6 0 84 390.848 4
Hi High (pH 8-9.5) 5.28 2.76 -52.02 1 6 -1 87 389.84 4
Hi High (pH 8-9.5) 4.82 5.82 -44.33 1 6 -1 87 389.84 4
Hi High (pH 8-9.5) 5.28 3.68 -102.63 0 6 -2 90 388.832 4
Hi High (pH 8-9.5) 4.33 5.57 -99.44 0 6 -2 86 388.832 5
Hi High (pH 8-9.5) 5.28 3.31 -50.27 1 6 -1 87 389.84 4
Hi High (pH 8-9.5) 4.82 6.12 -45.47 1 6 -1 87 389.84 4
Hi High (pH 8-9.5) 5.28 4.22 -102.42 0 6 -2 90 388.832 4

Activity (Go SEA)

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