UCSF

ZINC51761533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 24 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) 1.18 7.59 -43.68 1 6 1 48 341.52 8
Hi High (pH 8-9.5) 1.18 5.17 -13.38 0 6 0 47 340.512 8
Mid Mid (pH 6-8) 1.18 9.67 -101.43 2 6 2 49 342.528 8

Activity (Go SEA)

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