UCSF

ZINC31913716

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 2.83 5.72 -11.55 1 4 0 47 268.316 3
Mid Mid (pH 6-8) 2.83 6.14 -29.26 2 4 1 48 269.324 3

Activity (Go SEA)

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