UCSF

ZINC32232603

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 3.07 5.62 -5.76 1 3 0 24 314.404 6
Lo Low (pH 4.5-6) 3.07 7.42 -43.96 2 3 1 29 315.412 6
Lo Low (pH 4.5-6) 3.07 8.17 -33.98 2 3 1 26 315.412 6

Activity (Go SEA)

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