UCSF

ZINC31570472

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 32 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) 6.03 14.66 -43.41 1 4 1 34 458.066 11
Mid Mid (pH 6-8) 6.03 12.42 -6.66 0 4 0 33 457.058 11
Mid Mid (pH 6-8) 6.03 14.34 -44.63 1 4 1 34 458.066 11

Activity (Go SEA)

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