UCSF

ZINC33705934

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 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) 6.49 12.9 -40.47 2 7 1 83 508.664 9
Mid Mid (pH 6-8) 6.49 12.49 -16.18 1 7 0 82 507.656 9
Mid Mid (pH 6-8) 6.49 12.77 -44.87 2 7 1 87 508.664 9
Lo Low (pH 4.5-6) 6.49 13.18 -108.94 3 7 2 88 509.672 9

Activity (Go SEA)

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