UCSF

ZINC44839077

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 33 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) 3.49 3.05 -44.64 2 9 -1 133 508.985 8
Hi High (pH 8-9.5) 3.49 3.08 -88.77 1 9 -2 135 507.977 8
Mid Mid (pH 6-8) 3.49 2.97 -23.22 3 9 0 131 509.993 8

Activity (Go SEA)

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