UCSF

ZINC60092642

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 29 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) 3.44 10.45 -37.25 2 5 1 40 395.571 9
Hi High (pH 8-9.5) 3.44 8.58 -7 1 5 0 39 394.563 9
Mid Mid (pH 6-8) 3.44 13.02 -105.24 3 5 2 41 396.579 9

Activity (Go SEA)

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