UCSF

ZINC46066932

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 16 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) 1.47 5.23 -4.9 0 3 0 21 227.258 6
Mid Mid (pH 6-8) 1.47 7.59 -30.74 1 3 1 22 228.266 6
Mid Mid (pH 6-8) 1.47 5.66 -29.18 1 3 1 22 228.266 6
Lo Low (pH 4.5-6) 1.47 7.61 -98.24 2 3 2 24 229.274 6

Activity (Go SEA)

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