UCSF

ZINC40038222

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 21 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) 3.23 7.1 -11.99 1 5 0 68 321.789 2
Hi High (pH 8-9.5) 3.30 5.36 -47.64 0 5 -1 74 320.781 2

Activity (Go SEA)

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