UCSF

ZINC31960975

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 1.39 4.73 -53.45 5 5 1 82 299.398 8
Mid Mid (pH 6-8) 1.39 5.2 -94.91 6 5 2 83 300.406 8

Activity (Go SEA)

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