UCSF

ZINC35698689

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 3.86 9.72 -13.12 1 3 0 38 340.832 1
Hi High (pH 8-9.5) 4.32 8.55 -43.79 0 3 -1 41 339.824 1

Activity (Go SEA)

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