UCSF

ZINC60231165

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 6.41 13.61 -53.63 1 4 1 38 510.911 7
Hi High (pH 8-9.5) 6.41 11.63 -8.92 0 4 0 36 509.903 7

Activity (Go SEA)

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