UCSF

ZINC39742421

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 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) 2.86 4.85 -28.06 3 9 0 126 441.447 6
Hi High (pH 8-9.5) 2.93 2.7 -70.26 2 9 -1 133 440.439 6

Activity (Go SEA)

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