UCSF

ZINC60311150

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 20 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) 1.13 6.51 -45.89 1 6 -1 87 276.316 4
Lo Low (pH 4.5-6) 1.13 4.62 -16.64 2 6 0 84 277.324 4

Activity (Go SEA)

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