UCSF

ZINC41573159

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) 0.59 2.61 -42.34 2 6 1 49 327.493 8
Hi High (pH 8-9.5) 0.59 0.36 -9.12 1 6 0 48 326.485 8
Mid Mid (pH 6-8) 0.59 2.73 -40.64 2 6 1 49 327.493 8
Lo Low (pH 4.5-6) 0.59 4.94 -76.95 3 6 2 50 328.501 8
Lo Low (pH 4.5-6) 0.59 4.82 -81.66 3 6 2 50 328.501 8

Activity (Go SEA)

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