UCSF

ZINC09160380

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 35 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) 2.98 9.49 -61.05 0 9 -1 122 492.533 8
Mid Mid (pH 6-8) 3.43 -0.5 -33.62 1 9 0 118 493.541 7
Mid Mid (pH 6-8) 2.40 -0.21 -26.51 0 9 0 115 493.541 8
Lo Low (pH 4.5-6) 3.43 8.91 -70.03 2 9 1 120 494.549 7
Lo Low (pH 4.5-6) 2.40 9.9 -60.34 1 9 1 117 494.549 8

Activity (Go SEA)

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