UCSF

ZINC31775865

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 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) -0.29 3.67 -48.54 3 3 0 68 217.627 3
Hi High (pH 8-9.5) -0.29 3.43 -43.62 2 3 -1 66 216.619 3

Activity (Go SEA)

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