UCSF

ZINC41194536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 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) 3.12 6.54 -27.92 2 3 1 33 308.515 5
Hi High (pH 8-9.5) 3.12 8.88 -33.35 2 3 1 29 308.515 5
Mid Mid (pH 6-8) 3.12 8.9 -97.71 3 3 2 34 309.523 5
Lo Low (pH 4.5-6) 3.12 9.73 -81.62 3 3 2 31 309.523 5

Activity (Go SEA)

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