UCSF

ZINC32006636

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 12 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) 2.57 3.97 -37.19 2 2 1 26 172.292 2
Hi High (pH 8-9.5) 2.57 2.72 -1.68 1 2 0 21 171.284 2

Activity (Go SEA)

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