UCSF

ZINC32213515

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) 2.91 4.42 -50.89 4 3 1 57 310.776 5
Hi High (pH 8-9.5) 2.91 3.93 -7.89 3 3 0 55 309.768 5

Activity (Go SEA)

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