UCSF

ZINC19854141

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 34 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) 6.03 11.54 -18.7 2 6 0 92 489.622 6
Hi High (pH 8-9.5) 6.49 10.16 -50.35 1 6 -1 95 488.614 6

Activity (Go SEA)

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