UCSF

ZINC37087735

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) 4.39 9.14 -27.66 2 3 0 57 297.464 9
Hi High (pH 8-9.5) 4.39 8.79 -43.49 1 3 -1 52 296.456 9

Activity (Go SEA)

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