UCSF

ZINC42458286

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 No

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) -2.44 -1.62 -50.15 4 6 1 86 204.25 6
Hi High (pH 8-9.5) -2.26 -1.72 -59.58 3 6 0 93 203.242 6
Hi High (pH 8-9.5) -2.44 -2 -8.14 3 6 0 85 203.242 6

Activity (Go SEA)

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