UCSF

ZINC42463394

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -2.05 -1.09 -49.04 4 6 1 86 230.288 5
Hi High (pH 8-9.5) -1.87 -1.09 -55.92 3 6 0 93 229.28 5
Hi High (pH 8-9.5) -2.05 -1.47 -6.62 3 6 0 85 229.28 5

Activity (Go SEA)

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