UCSF

ZINC49282762

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 1.58 4.78 -47.03 2 5 1 74 294.4 4
Hi High (pH 8-9.5) 1.58 2.33 -9.97 1 5 0 73 293.392 4
Mid Mid (pH 6-8) 1.58 4.64 -33.33 1 5 0 76 293.392 4

Activity (Go SEA)

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