UCSF

ZINC41656319

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.35 8.72 -8.6 0 5 0 52 379.456 5
Mid Mid (pH 6-8) 4.35 11.17 -47.4 1 5 1 53 380.464 5

Activity (Go SEA)

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