UCSF

ZINC47367506

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2010 25 Yes

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) 3.07 2.92 -14.54 2 6 0 92 390.433 7
Hi High (pH 8-9.5) 3.07 3.05 -103.11 0 6 -2 96 388.417 7
Mid Mid (pH 6-8) 3.07 2.88 -38.99 1 6 -1 94 389.425 7
Mid Mid (pH 6-8) 3.07 3.01 -44.18 1 6 -1 94 389.425 7

Activity (Go SEA)

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