UCSF

ZINC53155878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 14 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) 0.87 0.22 -46.67 4 3 1 57 216.688 5
Hi High (pH 8-9.5) 0.87 -1.13 -7.16 3 3 0 52 215.68 5

Activity (Go SEA)

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