UCSF

ZINC19664325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 23 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) 3.63 8.02 -48.85 3 3 1 40 313.465 9
Hi High (pH 8-9.5) 3.63 9.42 -34.29 3 3 1 40 313.465 9
Mid Mid (pH 6-8) 3.63 9.79 -125.2 4 3 2 41 314.473 9

Activity (Go SEA)

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