UCSF

ZINC22943685

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.39 8.28 -40.95 2 6 1 63 348.467 9
Hi High (pH 8-9.5) 3.39 5.99 -10.57 1 6 0 62 347.459 9

Activity (Go SEA)

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