UCSF

ZINC31946076

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.14 2.62 -11.61 0 4 0 33 220.7 4
Mid Mid (pH 6-8) 0.14 4.95 -52.51 1 4 1 34 221.708 4

Activity (Go SEA)

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