UCSF

ZINC41586516

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

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) 4.70 12.25 -46.79 2 6 1 81 434.512 7
Hi High (pH 8-9.5) 4.70 10.78 -45.93 0 6 -1 83 432.496 7
Mid Mid (pH 6-8) 4.70 13 -31.12 1 6 0 84 433.504 7
Mid Mid (pH 6-8) 4.70 10.01 -11.17 1 6 0 80 433.504 7

Activity (Go SEA)

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