UCSF

ZINC25497172

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 5.95 13.23 -12.94 2 5 0 67 397.478 6
Hi High (pH 8-9.5) 6.41 11.64 -53.33 1 5 -1 70 396.47 6

Activity (Go SEA)

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