UCSF

ZINC22023296

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 22 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) 2.97 6.65 -35.22 2 4 1 47 299.394 4
Hi High (pH 8-9.5) 2.97 7.42 -38.39 1 4 0 50 298.386 4
Lo Low (pH 4.5-6) 2.97 7.08 -99.47 3 4 2 48 300.402 4

Activity (Go SEA)

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