UCSF

ZINC19789405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 22 Yes

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) 4.33 8.74 -37.32 1 3 1 17 368.339 4
Hi High (pH 8-9.5) 4.33 6.47 -3.9 0 3 0 16 367.331 4

Activity (Go SEA)

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