UCSF

ZINC32053545

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 21 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) -1.38 5.81 -89.6 1 6 0 68 297.399 4
Hi High (pH 8-9.5) -1.38 7.99 -123.63 2 6 1 69 298.407 4
Mid Mid (pH 6-8) -1.38 5.58 -63 1 6 0 68 297.399 4

Activity (Go SEA)

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