UCSF

ZINC31978056

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.43 3.59 -48.12 3 4 1 49 279.404 7
Mid Mid (pH 6-8) 1.43 5.59 -90.8 4 4 2 51 280.412 7

Activity (Go SEA)

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