UCSF

ZINC54603289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 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) 0.77 1.15 -39.65 2 4 1 32 254.398 4
Mid Mid (pH 6-8) 0.77 3.34 -103.29 3 4 2 34 255.406 4
Mid Mid (pH 6-8) 0.77 3.41 -85.47 3 4 2 34 255.406 4
Lo Low (pH 4.5-6) 0.77 5.61 -193.05 4 4 3 35 256.414 4

Activity (Go SEA)

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