UCSF

ZINC31961578

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.41 -2.89 -54.55 6 6 1 102 239.299 5
Mid Mid (pH 6-8) -0.41 -3.27 -14.8 5 6 0 100 238.291 5
Mid Mid (pH 6-8) -0.41 -2.43 -100.27 7 6 2 103 240.307 5

Activity (Go SEA)

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