UCSF

ZINC36637986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 36 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) 6.33 14.71 -49.46 1 6 1 60 517.7 9
Hi High (pH 8-9.5) 6.33 12.66 -18.55 0 6 0 59 516.692 9

Activity (Go SEA)

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