UCSF

ZINC27558435

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 30 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) 4.29 8.77 -52.97 4 5 1 71 403.502 8
Hi High (pH 8-9.5) 4.29 7.36 -13.51 3 5 0 67 402.494 8

Activity (Go SEA)

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