UCSF

ZINC49282617

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) 3.37 5.78 -40.36 2 4 1 51 427.182 4
Hi High (pH 8-9.5) 3.37 3.3 -6.23 1 4 0 49 426.174 4
Mid Mid (pH 6-8) 3.37 5.61 -31.64 1 4 0 53 426.174 4

Activity (Go SEA)

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