UCSF

ZINC42894586

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) -0.56 -0.35 -51.18 5 6 1 95 266.321 7
Hi High (pH 8-9.5) -0.38 -1.62 -54.9 4 6 0 101 265.313 7
Hi High (pH 8-9.5) -0.56 -0.73 -8.5 4 6 0 93 265.313 7

Activity (Go SEA)

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