UCSF

ZINC34611743

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 2.29 8.46 -70.76 0 4 -1 62 250.661 2
Lo Low (pH 4.5-6) -0.99 6.7 -40.64 1 4 0 64 251.669 2

Activity (Go SEA)

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