UCSF

ZINC12520635

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 Yes

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) 3.57 10.92 -15.81 1 6 0 69 344.374 4
Mid Mid (pH 6-8) 3.57 11.42 -41.6 2 6 1 70 345.382 4
Lo Low (pH 4.5-6) 3.57 11.18 -47.27 2 6 1 70 345.382 4
Lo Low (pH 4.5-6) 3.57 11.69 -106.63 3 6 2 72 346.39 4

Activity (Go SEA)

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