UCSF

ZINC32130287

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 3.12 5.28 -6.62 2 3 0 45 284.403 6
Lo Low (pH 4.5-6) 3.12 5.71 -38.4 3 3 1 46 285.411 6
Lo Low (pH 4.5-6) 3.12 6.8 -54.84 3 3 1 50 285.411 6

Activity (Go SEA)

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