UCSF

ZINC04185483

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 31 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) 4.52 -0.95 -13.05 1 6 0 69 453.329 6
Lo Low (pH 4.5-6) 4.52 -0.89 -47.32 2 6 1 70 454.337 6

Activity (Go SEA)

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