UCSF

ZINC41584932

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 5.15 11.18 -43.83 2 8 1 89 502.591 10
Hi High (pH 8-9.5) 5.15 9.45 -45.18 0 8 -1 91 500.575 10
Mid Mid (pH 6-8) 5.15 11.14 -48.14 2 8 1 89 502.591 10
Mid Mid (pH 6-8) 5.15 8.89 -14.28 1 8 0 88 501.583 10

Activity (Go SEA)

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