UCSF

ZINC16424486

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 26 Yes

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) 3.21 11.39 -47.12 1 5 1 43 355.458 7
Mid Mid (pH 6-8) 3.21 8.99 -6.82 0 5 0 42 354.45 7

Activity (Go SEA)

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