UCSF

ZINC32158002

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 1.96 3.86 -52.32 4 5 1 75 295.403 8
Hi High (pH 8-9.5) 1.96 3.54 -11.84 3 5 0 74 294.395 8

Activity (Go SEA)

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