UCSF

ZINC22623237

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 24 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) 2.94 6.47 -43.38 3 5 1 63 334.484 8
Hi High (pH 8-9.5) 2.94 4.41 -10.64 2 5 0 61 333.476 8

Activity (Go SEA)

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