UCSF

ZINC32180242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 0.80 4.37 -48.11 3 4 1 57 299.341 4
Hi High (pH 8-9.5) 0.80 2.87 -11.77 2 4 0 53 298.333 4

Activity (Go SEA)

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