UCSF

ZINC39757435

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 21 No

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) 0.98 6.83 -17.99 1 9 0 119 328.379 6
Hi High (pH 8-9.5) 1.16 5.6 -38.22 0 9 -1 125 327.371 6

Activity (Go SEA)

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