UCSF

ZINC12364370

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 24 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) 2.81 8.07 -15.17 1 5 0 50 340.814 2
Mid Mid (pH 6-8) 3.33 5.43 -35.43 2 5 1 55 341.822 2
Mid Mid (pH 6-8) 2.81 8.5 -35.73 2 5 1 51 341.822 2
Lo Low (pH 4.5-6) 3.33 6.48 -78.24 3 5 2 57 342.83 2

Activity (Go SEA)

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