UCSF

ZINC58872511

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2011 20 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) 3.89 10.55 -53.88 2 4 1 62 277.388 5
Hi High (pH 8-9.5) 3.89 9.17 -6.87 1 4 0 58 276.38 5

Activity (Go SEA)

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