UCSF

ZINC36868302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 2.23 5.08 -46.65 3 3 1 45 222.356 3
Hi High (pH 8-9.5) 2.23 4.68 -6.45 2 3 0 44 221.348 3

Activity (Go SEA)

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