UCSF

ZINC32212454

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.66 5.07 -47.41 3 5 1 65 310.414 8
Hi High (pH 8-9.5) 2.66 3.69 -10.84 2 5 0 60 309.406 8

Activity (Go SEA)

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