UCSF

ZINC39971519

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 18 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) 2.92 8.01 -35.59 1 2 1 8 251.369 4
Mid Mid (pH 6-8) 2.92 8.28 -39.64 1 2 1 8 251.369 4
Mid Mid (pH 6-8) 2.92 6.02 -2.52 0 2 0 6 250.361 4

Activity (Go SEA)

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