UCSF

ZINC42545357

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) 1.38 4.71 -96.14 3 3 2 24 227.396 3
Mid Mid (pH 6-8) 1.38 2.23 -36.39 2 3 1 23 226.388 3
Lo Low (pH 4.5-6) 1.38 7.16 -178.77 4 3 3 25 228.404 3

Activity (Go SEA)

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