UCSF

ZINC35680358

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 0.21 5.48 -39.62 2 6 0 77 243.307 5
Mid Mid (pH 6-8) 0.21 3.34 -44.54 1 6 -1 76 242.299 5

Activity (Go SEA)

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