UCSF

ZINC32026845

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 0.04 1.55 -43.16 3 4 1 51 214.333 5
Lo Low (pH 4.5-6) 0.04 1.48 -41.09 3 4 1 51 214.333 5
Lo Low (pH 4.5-6) 0.04 3.89 -104.47 4 4 2 52 215.341 5

Activity (Go SEA)

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