UCSF

ZINC09402766

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 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) 5.71 0.62 -16.07 0 4 0 46 421.953 4
Lo Low (pH 4.5-6) 5.71 0.96 -39.4 1 4 1 47 422.961 4

Activity (Go SEA)

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