UCSF

ZINC12437085

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 23 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) 4.40 6.82 -8.22 1 4 0 54 324.405 4
Ref Reference (pH 7) 3.47 6.87 -13.64 1 4 0 51 324.405 5
Hi High (pH 8-9.5) 4.86 4.77 -47.61 0 4 -1 58 323.397 4
Hi High (pH 8-9.5) 4.86 5.11 -47.8 0 4 -1 58 323.397 4
Mid Mid (pH 6-8) 3.47 5.87 -44.43 0 4 -1 53 323.397 5
Lo Low (pH 4.5-6) 3.47 7.86 -32.48 2 4 1 52 325.413 5

Activity (Go SEA)

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