UCSF

ZINC39227194

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 28 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) 4.08 10.53 -52.43 1 5 1 49 382.48 6
Hi High (pH 8-9.5) 4.08 8.31 -10.6 0 5 0 48 381.472 6

Activity (Go SEA)

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