UCSF

ZINC42463419

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.43 0.73 -42.13 3 3 1 40 227.25 5
Hi High (pH 8-9.5) 0.43 0.37 -2.55 2 3 0 38 226.242 5
Lo Low (pH 4.5-6) 0.43 2.59 -118.32 4 3 2 41 228.258 5

Activity (Go SEA)

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