UCSF

ZINC37101786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.00 2.82 -11.51 2 5 0 71 298.339 5
Hi High (pH 8-9.5) 2.00 3.02 -46.77 1 5 -1 73 297.331 5

Activity (Go SEA)

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