UCSF

ZINC32004486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 3.47 5.45 -5.7 2 3 0 38 302.805 3
Lo Low (pH 4.5-6) 3.47 7.8 -41.44 3 3 1 40 303.813 3

Activity (Go SEA)

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