UCSF

ZINC31898801

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.49 8.76 -49.22 3 2 1 37 304.841 5
Hi High (pH 8-9.5) 3.49 8.46 -3.13 2 2 0 35 303.833 5

Activity (Go SEA)

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