UCSF

ZINC37092779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.72 4.09 -32.24 2 4 1 37 240.371 3
Hi High (pH 8-9.5) 0.72 2.04 -7.21 1 4 0 36 239.363 3
Mid Mid (pH 6-8) 0.72 5.36 -94.49 3 4 2 41 241.379 3

Activity (Go SEA)

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