UCSF

ZINC44606454

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 1.23 -0.01 -7.32 1 5 0 62 340.63 2
Mid Mid (pH 6-8) 1.23 1.24 -52.04 2 5 1 67 341.638 2

Activity (Go SEA)

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