UCSF

ZINC40165868

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.38 14.62 -20.62 1 6 0 81 513.626 7
Hi High (pH 8-9.5) 6.45 12.95 -53.87 0 6 -1 87 512.618 7

Activity (Go SEA)

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