UCSF

ZINC42459930

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.31 4.28 -40.57 2 5 1 47 227.332 6
Hi High (pH 8-9.5) 0.31 2.81 -4.73 1 5 0 42 226.324 6
Lo Low (pH 4.5-6) 0.31 4.41 -93.14 3 5 2 48 228.34 6

Activity (Go SEA)

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