UCSF

ZINC24878942

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 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) 3.74 9 -51.82 1 6 1 65 385.875 6
Hi High (pH 8-9.5) 3.74 6.64 -9.3 0 6 0 64 384.867 6
Lo Low (pH 4.5-6) 3.74 9.45 -94.09 2 6 2 67 386.883 6

Activity (Go SEA)

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