UCSF

ZINC37042731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 No

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) 0.43 3.49 -48.27 3 5 1 66 286.421 3
Mid Mid (pH 6-8) 0.43 2.1 -13.14 2 5 0 61 285.413 3

Activity (Go SEA)

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