UCSF

ZINC31843639

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 16 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) 2.18 3.95 -45.28 3 2 1 31 223.315 2
Mid Mid (pH 6-8) 2.18 6.11 -38.32 3 2 1 30 223.315 2
Mid Mid (pH 6-8) 2.18 6.37 -116.25 4 2 2 32 224.323 2

Activity (Go SEA)

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