UCSF

ZINC09380446

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 32 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) 3.41 9.61 -62.89 1 6 -1 90 429.427 5
Mid Mid (pH 6-8) 2.83 0.27 -18.28 1 6 0 83 430.435 5
Mid Mid (pH 6-8) 3.86 8.54 -26.89 2 6 0 87 430.435 4
Lo Low (pH 4.5-6) 3.93 5.85 -12.38 2 6 0 90 430.435 5
Lo Low (pH 4.5-6) 3.41 8.83 -15.73 2 6 0 87 430.435 5

Activity (Go SEA)

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