UCSF

ZINC32142781

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) 2.08 7.45 -46.07 0 5 -1 70 288.323 4
Lo Low (pH 4.5-6) 2.08 6.32 -15.51 1 5 0 67 289.331 4

Activity (Go SEA)

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