UCSF

ZINC39989293

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 3.32 6.93 -16.5 1 5 0 64 321.427 7
Hi High (pH 8-9.5) 3.39 5.27 -51.65 0 5 -1 70 320.419 7

Activity (Go SEA)

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