UCSF

ZINC39965151

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 25 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) 3.80 10.2 -30.62 1 3 1 17 341.45 7
Mid Mid (pH 6-8) 3.80 10.18 -34.05 1 3 1 17 341.45 7
Mid Mid (pH 6-8) 3.80 7.92 -6.11 0 3 0 16 340.442 7

Activity (Go SEA)

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