UCSF

ZINC54603251

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) 1.55 5.51 -83.33 3 3 2 24 251.418 2
Hi High (pH 8-9.5) 1.55 3.09 -38.26 2 3 1 23 250.41 2
Mid Mid (pH 6-8) 1.55 7.32 -183.61 4 3 3 25 252.426 2

Activity (Go SEA)

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