UCSF

ZINC31979660

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 32 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) 3.45 7.55 -21.83 2 8 0 106 449.536 6
Mid Mid (pH 6-8) 3.45 7.62 -53.95 1 8 -1 108 448.528 6

Activity (Go SEA)

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