UCSF

ZINC25502076

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) 6.30 9.95 -43.74 0 3 -1 49 367.469 5
Mid Mid (pH 6-8) 5.85 10.81 -14.41 1 3 0 46 368.477 5

Activity (Go SEA)

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