UCSF

ZINC34928967

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 4.05 5.56 -49.35 3 6 1 75 348.467 6
Mid Mid (pH 6-8) 4.05 4.31 -7.67 2 6 0 71 347.459 6

Activity (Go SEA)

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