UCSF

ZINC32198783

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.49 9.58 -49.89 1 5 0 65 304.39 6
Hi High (pH 8-9.5) 1.49 7.37 -50.62 0 5 -1 64 303.382 6

Activity (Go SEA)

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