UCSF

ZINC33860672

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 32 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) 7.17 16.23 -29.65 2 5 1 57 448.612 8
Mid Mid (pH 6-8) 7.17 15.76 -13.72 1 5 0 56 447.604 8
Mid Mid (pH 6-8) 7.17 15.71 -34.22 2 5 1 60 448.612 8
Lo Low (pH 4.5-6) 7.17 16.18 -91.86 3 5 2 61 449.62 8

Activity (Go SEA)

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