UCSF

ZINC32139807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.50 5.75 -2.51 2 1 0 26 163.264 1
Lo Low (pH 4.5-6) 3.50 5.59 -36.81 3 1 1 28 164.272 1

Activity (Go SEA)

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