UCSF

ZINC32209819

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 No

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) 2.13 2.34 -13.71 3 6 0 91 308.359 7
Hi High (pH 8-9.5) 2.13 2.41 -44.83 2 6 -1 93 307.351 7

Activity (Go SEA)

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