UCSF

ZINC34794661

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 32 No

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) 5.33 13.41 -9.46 1 6 0 72 453.608 11
Hi High (pH 8-9.5) 5.87 12.35 -42.75 0 6 -1 74 452.6 12

Activity (Go SEA)

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