UCSF

ZINC32521659

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 29 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) 2.80 2.65 -19.64 2 7 0 88 423.579 6
Mid Mid (pH 6-8) 2.80 4.91 -58.94 3 7 1 89 424.587 6

Activity (Go SEA)

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