UCSF

ZINC53148262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 3.62 9.82 -46.14 2 2 1 20 287.814 4
Hi High (pH 8-9.5) 3.62 8.47 -4.79 1 2 0 15 286.806 4

Activity (Go SEA)

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