UCSF

ZINC22455512

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 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) 2.33 7.88 -81.04 3 3 2 21 255.45 6
Hi High (pH 8-9.5) 2.33 5.66 -32.44 2 3 1 20 254.442 6
Mid Mid (pH 6-8) 2.33 4.61 -37.97 2 3 1 23 254.442 6
Mid Mid (pH 6-8) 2.33 6.82 -115.01 3 3 2 24 255.45 6

Activity (Go SEA)

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