UCSF

ZINC31907983

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 0.00 3.07 -8.33 2 4 0 56 274.242 3
Mid Mid (pH 6-8) 0.00 3.4 -60.05 3 4 1 57 275.25 3

Activity (Go SEA)

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