UCSF

ZINC31989903

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 2.51 6.01 -38.34 3 4 1 43 286.399 4
Mid Mid (pH 6-8) 2.51 5.93 -37.23 3 4 1 43 286.399 4
Mid Mid (pH 6-8) 2.51 3.54 -8.27 2 4 0 42 285.391 4

Activity (Go SEA)

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