UCSF

ZINC39343983

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 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) 3.66 9.17 -56.25 3 5 1 65 408.518 11
Hi High (pH 8-9.5) 3.66 7.77 -11.05 2 5 0 60 407.51 11

Activity (Go SEA)

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