UCSF

ZINC39227382

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 36 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) 2.74 11.26 -57.28 2 7 1 80 490.624 4
Hi High (pH 8-9.5) 2.74 9.07 -20.03 1 7 0 79 489.616 4

Activity (Go SEA)

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