UCSF

ZINC45658326

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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
Hi High (pH 8-9.5) 0.44 0.32 -40.66 3 3 1 34 212.361 3
Hi High (pH 8-9.5) 0.44 2.35 -30.05 3 3 1 34 212.361 3
Mid Mid (pH 6-8) 0.44 4.39 -93.81 4 3 2 35 213.369 3
Mid Mid (pH 6-8) 0.44 2.47 -117.63 4 3 2 35 213.369 3
Mid Mid (pH 6-8) 0.44 2.01 -26.7 3 3 1 34 212.361 3
Lo Low (pH 4.5-6) 0.44 4.86 -214.1 5 3 3 37 214.377 3
Lo Low (pH 4.5-6) 0.44 2.72 -100.76 4 3 2 35 213.369 3

Activity (Go SEA)

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