UCSF

ZINC25804916

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 29 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) 3.18 8.28 -52.11 2 6 1 59 391.495 4
Mid Mid (pH 6-8) 3.18 5.82 -9.55 1 6 0 58 390.487 4

Activity (Go SEA)

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