UCSF

ZINC05838747

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 27 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) 0.77 12.71 -102.83 1 6 0 70 373.428 5
Hi High (pH 8-9.5) 0.77 10.51 -64.6 0 6 -1 69 372.42 5
Mid Mid (pH 6-8) 0.77 10.7 -57.81 2 6 1 67 374.436 5
Lo Low (pH 4.5-6) -1.97 10.72 -83.63 2 6 1 73 374.436 4

Activity (Go SEA)

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