UCSF

ZINC34946912

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 27 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) 4.03 8.47 -45.1 2 4 1 37 373.492 8
Hi High (pH 8-9.5) 4.03 6.2 -7.57 1 4 0 36 372.484 8

Activity (Go SEA)

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