UCSF

ZINC32086781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 3.43 4.43 -20.2 3 5 0 89 366.87 6
Mid Mid (pH 6-8) 3.43 4.5 -46.58 2 5 -1 91 365.862 6

Activity (Go SEA)

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