UCSF

ZINC35698616

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 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) 3.31 9.05 -6.61 1 3 0 38 308.472 1
Hi High (pH 8-9.5) 3.77 8.51 -33.73 0 3 -1 41 307.464 1

Activity (Go SEA)

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