UCSF

ZINC39896667

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 36 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) 5.02 13.42 -9.21 1 6 0 82 497.62 7
Hi High (pH 8-9.5) 5.20 11.62 -43.81 0 6 -1 89 496.612 7

Activity (Go SEA)

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