UCSF

ZINC42795843

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) -0.27 6.31 -105.23 3 6 2 62 300.447 6
Hi High (pH 8-9.5) -0.27 5.56 -34.35 2 6 1 57 299.439 6

Activity (Go SEA)

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