UCSF

ZINC32106328

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 24 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) 2.97 11.32 -21.07 0 3 0 51 320.388 5
Mid Mid (pH 6-8) 3.55 11.42 -42.51 0 3 -1 57 319.38 5

Activity (Go SEA)

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