UCSF

ZINC32207636

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) 2.47 8.53 -49.68 0 5 -1 70 306.382 9
Lo Low (pH 4.5-6) 2.47 7.41 -9.9 1 5 0 67 307.39 9

Activity (Go SEA)

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