UCSF

ZINC13544024

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 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) 3.41 7.62 -13.33 1 6 0 73 323.352 5
Hi High (pH 8-9.5) 4.32 5.74 -56.73 0 6 -1 79 322.344 5
Hi High (pH 8-9.5) 4.32 4.38 -50.96 0 6 -1 79 322.344 5

Activity (Go SEA)

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