UCSF

ZINC16897901

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.10 9.06 -23.19 2 7 0 93 495.626 8
Hi High (pH 8-9.5) 6.56 7.83 -58.55 1 7 -1 96 494.618 8

Activity (Go SEA)

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