UCSF

ZINC37050490

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -1.49 3.86 -85.79 4 5 2 67 212.297 5
Mid Mid (pH 6-8) -1.49 3.38 -55 3 5 1 66 211.289 5

Activity (Go SEA)

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