UCSF

ZINC32105330

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 4.19 9.09 -47.42 0 3 -1 49 249.33 9
Lo Low (pH 4.5-6) 4.19 7.97 -9.28 1 3 0 47 250.338 9

Activity (Go SEA)

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