UCSF

ZINC32133605

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) 2.04 3.36 -8.32 2 4 0 54 286.375 6
Lo Low (pH 4.5-6) 2.04 3.8 -40.42 3 4 1 56 287.383 6
Lo Low (pH 4.5-6) 2.04 4.88 -57.78 3 4 1 59 287.383 6

Activity (Go SEA)

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