UCSF

ZINC31992643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 No

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) -1.65 -0.2 -8.66 2 5 0 73 198.222 2
Mid Mid (pH 6-8) -1.65 0.12 -58.82 3 5 1 74 199.23 2

Activity (Go SEA)

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