UCSF

ZINC05809628

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 23 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) 6.32 10.12 -7.21 1 3 0 45 387.302 3
Hi High (pH 8-9.5) 6.77 8.41 -47.2 0 3 -1 48 386.294 3

Activity (Go SEA)

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