UCSF

ZINC32186916

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 20 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) 2.47 8.11 -48.53 0 4 -1 60 300.737 7
Lo Low (pH 4.5-6) 2.47 6.99 -9.15 1 4 0 58 301.745 7

Activity (Go SEA)

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