UCSF

ZINC38933868

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2010 27 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) 4.93 5.52 -14.69 1 6 0 77 397.74 5
Hi High (pH 8-9.5) 4.45 2.95 -51.4 0 6 -1 84 396.732 5

Activity (Go SEA)

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