UCSF

ZINC22394382

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 20 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) 3.11 5.34 -16.73 2 5 0 65 271.32 3
Hi High (pH 8-9.5) 3.11 6.37 -59.74 1 5 -1 68 270.312 3
Lo Low (pH 4.5-6) 3.11 5.72 -39.72 3 5 1 67 272.328 3

Activity (Go SEA)

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