UCSF

ZINC04809895

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 24 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) 3.28 7.71 -12.34 1 5 0 56 343.814 6
Mid Mid (pH 6-8) 3.28 8.21 -36.56 2 5 1 57 344.822 6
Mid Mid (pH 6-8) 3.33 6.11 -48.67 2 5 1 61 344.822 6
Lo Low (pH 4.5-6) 3.33 4.6 -32.61 2 5 1 61 344.822 6
Lo Low (pH 4.5-6) 3.33 6.32 -112.81 3 5 2 63 345.83 6

Activity (Go SEA)

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