UCSF

ZINC34991098

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 0.86 6.46 -49.72 2 4 1 38 245.35 6
Hi High (pH 8-9.5) 0.86 5.09 -6.53 1 4 0 33 244.342 6
Mid Mid (pH 6-8) 0.86 8.93 -125.92 3 4 2 39 246.358 6
Mid Mid (pH 6-8) 0.86 7.57 -40.9 2 4 1 34 245.35 6
Mid Mid (pH 6-8) 0.86 8.09 -74.63 3 4 2 36 246.358 6
Lo Low (pH 4.5-6) 0.86 9.44 -171.83 4 4 3 40 247.366 6

Activity (Go SEA)

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