UCSF

ZINC31908016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) -0.86 2.83 -52.52 2 6 -1 96 317.243 5
Mid Mid (pH 6-8) -0.86 3.16 -86.54 3 6 0 97 318.251 5

Activity (Go SEA)

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