UCSF

ZINC22465016

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 27 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) 2.36 8.46 -56.45 2 6 1 56 367.473 5
Hi High (pH 8-9.5) 2.36 7.04 -11.9 1 6 0 51 366.465 5
Mid Mid (pH 6-8) 2.36 8.86 -92.37 3 6 2 57 368.481 5

Activity (Go SEA)

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