UCSF

ZINC40038123

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) 3.00 7.34 -13.08 1 5 0 68 301.371 2
Hi High (pH 8-9.5) 3.07 5.6 -52.21 0 5 -1 74 300.363 2

Activity (Go SEA)

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