UCSF

ZINC45658002

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.77 7.83 -47.94 2 4 1 44 276.404 8
Hi High (pH 8-9.5) 2.77 6.61 -9.51 1 4 0 39 275.396 8

Activity (Go SEA)

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