UCSF

ZINC31959752

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 3.81 7.06 -56.1 4 4 1 70 318.466 5
Hi High (pH 8-9.5) 4.37 5.78 -8.3 3 4 0 71 317.458 4
Mid Mid (pH 6-8) 3.62 5.99 -44.83 3 4 0 76 317.458 5

Activity (Go SEA)

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