UCSF

ZINC36783368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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 8.29 -125.05 4 2 2 32 270.42 5
Hi High (pH 8-9.5) 3.11 7.97 -31.61 3 2 1 30 269.412 5
Hi High (pH 8-9.5) 3.11 7.07 -46.12 3 2 1 31 269.412 5

Activity (Go SEA)

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