UCSF

ZINC36991902

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.83 9.15 -51.24 2 3 1 50 281.379 5
Mid Mid (pH 6-8) 3.83 8.31 -7.17 1 3 0 45 280.371 5

Activity (Go SEA)

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