UCSF

ZINC36080534

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 28 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) 2.39 6.91 -71.11 1 6 1 68 401.508 4
Hi High (pH 8-9.5) 2.39 4.76 -20.75 0 6 0 67 400.5 4

Activity (Go SEA)

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