UCSF

ZINC32228604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 3.83 8.71 -35.63 3 3 1 37 313.465 8
Lo Low (pH 4.5-6) 3.83 9.27 -125.25 4 3 2 41 314.473 8

Activity (Go SEA)

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