UCSF

ZINC32207235

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) 1.54 7.69 -50.5 0 6 -1 79 306.338 9
Lo Low (pH 4.5-6) 1.54 6.57 -11.09 1 6 0 76 307.346 9

Activity (Go SEA)

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